#! /bin/sh

"$ADFBIN/adf" <<eor
ATOMS
1 C       0.013636000000      -3.939017000000      -1.111654000000     R=1.700
2 C       0.732760000000      -3.542650000000       0.010634000000     R=1.700
3 C       1.654337000000      -4.395238000000       0.650079000000     R=1.700
4 C       1.850396000000      -5.680357000000       0.157839000000     R=1.700
5 C       1.131420000000      -6.087109000000      -0.957051000000     R=1.700
6 C       0.226263000000      -5.224238000000      -1.584219000000     R=1.700
7 C       2.219534000000      -3.646672000000       1.748959000000     R=1.700
8 C       1.614605000000      -2.375234000000       1.729785000000     R=1.700
9 N       0.724823000000      -2.312627000000       0.654823000000     R=1.608
10 C       3.141629000000      -3.953023000000       2.744144000000     R=1.700
11 C       3.438988000000      -2.992528000000       3.699578000000     R=1.700
12 C       2.812132000000      -1.743354000000       3.677236000000     R=1.700
13 C       1.886154000000      -1.417562000000       2.697064000000     R=1.700
14 C      -0.032338000000      -1.207664000000       0.253672000000     R=1.700
15 C      -1.471251000000      -1.285573000000       0.310998000000     R=1.700
16 C      -2.236341000000      -0.145579000000       0.013944000000     R=1.700
17 C      -1.622237000000       1.083116000000      -0.290084000000     R=1.700
18 C      -0.184695000000       1.186342000000      -0.247982000000     R=1.700
19 C       0.573734000000       0.033138000000      -0.001685000000     R=1.700
20 C      -2.367882000000       2.132180000000      -0.853868000000     R=1.700
21 N      -2.966804000000       3.017002000000      -1.316594000000     R=1.608
22 N      -3.619856000000      -0.232704000000       0.019257000000     R=1.608
23 N       1.965465000000       0.117671000000      -0.014237000000     R=1.608
24 C       2.824664000000      -0.692525000000      -0.763187000000     R=1.700
25 C       4.150397000000      -0.292713000000      -0.518787000000     R=1.700
26 C       4.093863000000       0.799973000000       0.432101000000     R=1.700
27 C       2.734864000000       1.029812000000       0.712331000000     R=1.700
28 C       5.186795000000      -0.914512000000      -1.194676000000     R=1.700
29 C       4.880154000000      -1.919196000000      -2.107695000000     R=1.700
30 C       3.557802000000      -2.278765000000      -2.364672000000     R=1.700
31 C       2.504091000000      -1.659373000000      -1.706160000000     R=1.700
32 C       2.320356000000       1.953068000000       1.662929000000     R=1.700
33 C       3.304326000000       2.703741000000       2.291244000000     R=1.700
34 C       4.654246000000       2.514286000000       1.997161000000     R=1.700
35 C       5.060875000000       1.552326000000       1.077312000000     R=1.700
36 C      -2.074331000000      -2.420138000000       0.880642000000     R=1.700
37 N       0.420290000000       2.383741000000      -0.641926000000     R=1.608
38 H       1.267839000000       2.085719000000       1.911595000000     R=1.350
39 H       3.012092000000       3.449178000000       3.030546000000     R=1.350
40 H       5.403158000000       3.117780000000       2.510089000000     R=1.350
41 H       6.120050000000       1.386776000000       0.878576000000     R=1.350
42 H       3.341783000000      -3.054594000000      -3.098936000000     R=1.350
43 H       5.685051000000      -2.421447000000      -2.644459000000     R=1.350
44 H       6.221400000000      -0.615178000000      -1.025040000000     R=1.350
45 H       1.470016000000      -1.922314000000      -1.927159000000     R=1.350
46 H       1.382606000000      -0.450418000000       2.698917000000     R=1.350
47 H       3.048407000000      -1.010010000000       4.448797000000     R=1.350
48 H       4.160242000000      -3.216172000000       4.485886000000     R=1.350
49 H       3.616458000000      -4.934623000000       2.776961000000     R=1.350
50 H       2.559291000000      -6.356886000000       0.637152000000     R=1.350
51 H       1.271597000000      -7.093429000000      -1.352308000000     R=1.350
52 H      -0.325796000000      -5.570353000000      -2.458299000000     R=1.350
53 H      -0.694499000000      -3.264425000000      -1.595653000000     R=1.350
54 N      -2.547753000000      -3.375337000000       1.348471000000     R=1.608
55 C       1.287170000000       2.574107000000      -1.719651000000     R=1.700
56 C       1.718177000000       3.914927000000      -1.728057000000     R=1.700
57 C       1.068261000000       4.570354000000      -0.616897000000     R=1.700
58 C       0.271717000000       3.597326000000       0.017613000000     R=1.700
59 C      -0.482641000000       3.882582000000       1.150190000000     R=1.700
60 C       1.100142000000       5.864136000000      -0.108521000000     R=1.700
61 C       2.586306000000       4.350514000000      -2.723907000000     R=1.700
62 C       1.679914000000       1.670195000000      -2.697281000000     R=1.700
63 C      -0.434529000000       5.178585000000       1.638671000000     R=1.700
64 C       0.344889000000       6.160031000000       1.017024000000     R=1.700
65 H      -1.091936000000       3.115454000000       1.630873000000     R=1.350
66 H      -1.018947000000       5.438644000000       2.521569000000     R=1.350
67 H       0.356677000000       7.170869000000       1.425261000000     R=1.350
68 H       1.711084000000       6.632744000000      -0.583879000000     R=1.350
69 C       3.003074000000       3.447809000000      -3.690630000000     R=1.700
70 C       2.548771000000       2.125653000000      -3.677829000000     R=1.700
71 H       2.926543000000       5.386740000000      -2.748160000000     R=1.350
72 H       3.683689000000       3.772913000000      -4.477763000000     R=1.350
73 H       2.876533000000       1.437690000000      -4.457713000000     R=1.350
74 H       1.310686000000       0.644244000000      -2.706801000000     R=1.350
75 C      -4.382424000000      -1.203005000000      -0.645724000000     R=1.700
76 C      -5.743432000000      -0.951842000000      -0.400123000000     R=1.700
77 C      -5.813510000000       0.207486000000       0.462009000000     R=1.700
78 C      -4.493635000000       0.632039000000       0.693150000000     R=1.700
79 C      -4.200142000000       1.696998000000       1.533222000000     R=1.700
80 C      -6.868337000000       0.884038000000       1.060116000000     R=1.700
81 C      -6.708762000000      -1.756561000000      -0.990718000000     R=1.700
82 C      -3.963288000000      -2.219672000000      -1.492422000000     R=1.700
83 C      -6.298612000000      -2.791012000000      -1.820153000000     R=1.700
84 C      -4.942948000000      -3.013038000000      -2.070462000000     R=1.700
85 H      -2.906640000000      -2.391834000000      -1.694223000000     R=1.350
86 H      -4.645799000000      -3.825466000000      -2.733524000000     R=1.350
87 H      -7.042565000000      -3.434237000000      -2.290383000000     R=1.350
88 H      -7.768931000000      -1.572954000000      -0.812680000000     R=1.350
89 C      -5.267874000000       2.360323000000       2.119155000000     R=1.700
90 C      -6.586210000000       1.965123000000       1.883456000000     R=1.700
91 H      -3.172457000000       2.004433000000       1.723469000000     R=1.350
92 H      -5.071019000000       3.206564000000       2.777255000000     R=1.350
93 H      -7.401914000000       2.509216000000       2.359837000000     R=1.350
94 H      -7.897838000000       0.565408000000       0.892876000000     R=1.350
END

SOLVATION
    Surf Delley
    Solv name=Toluene cav0=0.0 cav1=0.0067639
    Charged method=CONJ
    C-Mat POT
    SCF VAR ALL 
    CSMRSP
END

BASIS
type TZP
core None
createoutput None
END

XC
GGA PBE
xcfun
RANGESEP GAMMA=0.22
END

RELATIVISTIC Scalar ZORA

TDA


SOPERT
END

EXCITATIONS
Davidson
End
lowest 5
NTO
DESCRIPTORS
END

NumericalQuality Good

ALLPOINTS
NOPRINT LOGFILE

eor