%chk=000167732.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000167732

1 1
 S    2.152100       2.270000       1.540000    
 O   -3.062800       3.107500      0.1834000    
 O   -2.656600      -2.211100     -0.1176000    
 N    5.565800       2.067800     -0.7243000    
 N  -0.1389000      -2.197900      0.5664000    
 N  -0.5972000       3.396200      0.8814000    
 C    4.661900       2.464700      0.3828000    
 C    4.948700       2.418600      -2.085500    
 C    6.915600       2.790400     -0.6126000    
 C    5.831200      0.5559000     -0.6972000    
 C    3.301800       1.806900      0.2170000    
 C   -1.645800       1.218800      0.4232000    
 C   -1.540800     -0.1714000      0.3433000    
 C   0.6831000       1.356000       1.068500    
 C  -0.5308000       1.983400      0.7869000    
 C  -0.3208000     -0.7969000      0.6264000    
 C   0.7879000     -3.1199999E-02  0.9885000    
 C   -2.926900       1.891800      0.1266000    
 C   -2.709500     -0.9902000     -3.8600001E-02
 C   -4.095400       1.073000     -0.2558000    
 C   -3.990400     -0.3173000     -0.3355000    
 C   -5.315300       1.698600     -0.5397000    
 C   -5.105400      -1.081900     -0.6993000    
 C   0.9776000      -2.999400      0.2703000    
 C   -6.423900      0.9328000     -0.9016000    
 C   -6.319100     -0.4545000     -0.9815000    
 C    1.107400      -4.264100      0.8498000    
 C    1.963100      -2.535100     -0.6046000    
 C    2.215300      -5.059100      0.5562000    
 C    3.070800      -3.330300     -0.8985000    
 C    3.196900      -4.592300     -0.3181000    
 H    4.572700       3.558200      0.3655000    
 H    5.136400       2.172300       1.327800    
 H    4.122100       1.738700      -2.306200    
 H    4.616700       3.460500      -2.057000    
 H    5.721100       2.290800      -2.850800    
 H    7.557600       2.468100      -1.437600    
 H    6.730600       3.867200     -0.6679000    
 H    7.363800       2.525400      0.3494000    
 H    4.927300      1.3500000E-02 -0.9839000    
 H    6.621000      0.3369000      -1.422900    
 H    6.157400      0.2806000      0.3099000    
 H    2.813500       2.104600     -0.7140000    
 H    3.388700      0.7194000      0.2305000    
 H    1.724100     -0.5145000       1.257300    
 H  -0.9636000      -2.728100      0.8313000    
 H   -5.425800       2.778300     -0.4856000    
 H   -5.052300      -2.165000     -0.7693000    
 H   0.2315000       3.914900       1.142200    
 H   -1.451600       3.895700      0.6827000    
 H   -7.370000       1.418700      -1.121700    
 H   -7.183700      -1.048200      -1.263700    
 H   0.3500000      -4.639600       1.533300    
 H    1.881300      -1.567000      -1.091700    
 H    2.313600      -6.041800       1.008100    
 H    3.832800      -2.968600      -1.582900    
 H    4.058900      -5.211900     -0.5476000    


%chk=000167732-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000167732

1 1
S 3.218762 0.777905 2.241451
O -1.396343 3.350331 0.616319
O -2.579440 -1.957864 -0.381799
N 4.492408 2.738640 -1.344433
N -0.248316 -2.693619 0.372986
N 0.928040 2.730406 1.526310
C 3.886985 2.424535 0.063614
C 3.910626 1.797077 -2.396365
C 4.107311 4.175928 -1.698888
C 6.012160 2.615309 -1.322535
C 4.214340 1.038492 0.631629
C -0.644873 1.043073 0.653105
C -0.941561 -0.339910 0.361866
C 1.576350 0.363598 1.482988
C 0.619307 1.413137 1.229816
C 0.041719 -1.366278 0.628102
C 1.293040 -0.971287 1.212407
C -1.645280 2.100551 0.381584
C -2.262436 -0.716814 -0.170555
C -2.956635 1.710971 -0.183065
C -3.254669 0.343949 -0.453994
C -3.928246 2.709893 -0.450563
C -4.520605 -0.007703 -0.988381
C 0.614221 -3.824665 0.425056
C -5.181160 2.352521 -0.983049
C -5.477613 0.990125 -1.253241
C 0.064790 -5.053503 0.881038
C 1.959036 -3.793535 -0.035528
C 0.853494 -6.221879 0.895965
C 2.743581 -4.966270 -0.007126
C 2.199738 -6.184132 0.462337
H 2.795402 2.559087 -0.037453
H 4.269910 3.211842 0.737098
H 4.235965 0.767779 -2.189733
H 2.812197 1.855709 -2.361172
H 4.271729 2.104753 -3.389814
H 4.501219 4.420493 -2.697405
H 3.010373 4.264584 -1.695411
H 4.537073 4.859054 -0.950575
H 6.292153 1.573002 -1.113373
H 6.410505 2.914190 -2.304533
H 6.415648 3.275563 -0.539606
H 3.933343 0.211211 -0.038356
H 5.268375 0.931336 0.936225
H 2.019101 -1.738926 1.491029
H -1.249312 -2.822966 0.074267
H -3.677292 3.751057 -0.227810
H -4.726371 -1.064462 -1.181793
H 1.686770 2.906139 2.188449
H 0.149765 3.402193 1.363710
H -5.930403 3.124582 -1.186015
H -6.454126 0.715678 -1.665254
H -0.973394 -5.080633 1.229715
H 2.371144 -2.872944 -0.462640
H 0.418332 -7.161466 1.252046
H 3.776309 -4.934749 -0.371852
H 2.810553 -7.092284 0.478704


