%chk=000056624.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056624

0 1
 S    4.247200     -0.4238000      0.3607000    
 S    1.615500      -1.800000      0.4370000    
 O    4.406900     -0.4552000       1.815800    
 O    4.888900      -1.451400     -0.4626000    
 N  -0.9661000      -1.546400     -0.1917000    
 N   -2.132200      0.4672000     -1.6600000E-02
 N   -3.371300      -1.376500     -8.9199997E-02
 N    1.865400      0.5537000     -0.5450000    
 N   0.5247000      0.2351000     -0.6736000    
 C    4.834200       1.162500     -0.2169000    
 C    6.328100       1.317400      1.4500000E-02
 C    2.546200     -0.4211000      1.8700000E-02
 C   -2.147700     -0.8970000     -0.1049000    
 C   -3.432200      0.8966000      6.1600000E-02
 C   0.3069000     -0.9421000     -0.2013000    
 C   -4.186200     -0.2727000      1.4200000E-02
 C    6.826200       2.673000     -0.4578000    
 C   -1.003600      -3.016400     -0.4076000    
 C   -3.996100       2.168600      0.1665000    
 C   -5.587500     -0.1868000      7.3799998E-02
 C   -5.392000       2.235500      0.2248000    
 C   -6.175400       1.079900      0.1794000    
 H    4.276000       1.933200      0.3243000    
 H    4.598800       1.229500      -1.284000    
 H    6.558700       1.201000       1.079800    
 H    6.875300      0.5282000     -0.5139000    
 H   -1.317400       1.065600     -6.5000001E-03
 H    7.902800       2.763700     -0.2829000    
 H    6.643700       2.806500      -1.528900    
 H    6.325300       3.484300      8.0100000E-02
 H  -0.2665000      -3.331900      -1.155600    
 H   -1.977500      -3.346700     -0.7881000    
 H  -0.8223000      -3.544700      0.5350000    
 H   -3.385800       3.063900      0.2015000    
 H   -6.205000      -1.078600      3.9299998E-02
 H   -5.875600       3.205800      0.3069000    
 H   -7.258100       1.164000      0.2266000    


%chk=000056624-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056624

0 1
S 4.557173 -0.659486 -0.108465
S 1.725935 -2.295670 -0.013610
O 5.084088 -1.273870 1.307382
O 5.056121 -1.321287 -1.512883
N -1.021782 -1.710893 -0.003214
N -2.098464 0.503002 -0.071993
N -3.424065 -1.368812 0.017216
N 1.913161 0.380371 -0.118117
N 0.537294 0.131464 -0.092698
C 4.895971 1.262443 -0.144023
C 6.409782 1.473134 -0.142563
C 2.642725 -0.716813 -0.084377
C -2.170782 -0.884552 -0.018601
C -3.421930 0.970924 -0.071472
C 0.247834 -1.195764 -0.038742
C -4.238984 -0.213967 -0.015241
C 6.731893 2.987519 -0.171554
C -1.232264 -3.179118 0.053265
C -3.973165 2.266678 -0.113738
C -5.647351 -0.102182 -0.000397
C -5.382264 2.356510 -0.097926
C -6.204690 1.192745 -0.042197
H 4.379329 1.631258 0.755890
H 4.385214 1.595944 -1.060908
H 6.850206 1.010620 0.760187
H 6.857184 0.975256 -1.022846
H -1.192671 0.996922 -0.104120
H 7.825537 3.139429 -0.169108
H 6.324542 3.470370 -1.078456
H 6.315558 3.506385 0.711059
H -0.797702 -3.661515 -0.840165
H -2.318538 -3.348799 0.075367
H -0.770796 -3.595921 0.965941
H -3.348091 3.164119 -0.156541
H -6.274416 -0.997541 0.042213
H -5.855745 3.343835 -0.129346
H -7.293550 1.311161 -0.031819


