%chk=000078460.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078460

1 1
 S   -4.133400     -0.2374000     -0.4130000    
 O   -5.324700     -0.7121000      0.5950000    
 O   -3.739500      -1.367600      -1.234700    
 O   -4.502700       1.036800      -1.002900    
 N   0.7999000      0.8778000      0.5814000    
 C  -0.4844000      0.6016000       1.237100    
 C   -1.546100      0.3430000      0.1759000    
 C   -2.893200      4.0600002E-02  0.8111000    
 C    1.660900     -0.1162000      0.2922000    
 C    2.884300      0.1998000     -0.3391000    
 C    1.047500       2.163400      0.2978000    
 C    1.350400      -1.441800      0.6114000    
 C    3.155100       1.541200     -0.6412000    
 C    2.231200       2.530000     -0.3209000    
 C    3.779800     -0.8388000     -0.6391000    
 C    2.252100      -2.460300      0.3060000    
 C    3.463000      -2.160200     -0.3171000    
 H  -0.3903000     -0.1954000       1.977900    
 H  -0.7582000       1.486800       1.827200    
 H   -1.634300       1.214900     -0.4841000    
 H   -1.242700     -0.4911000     -0.4675000    
 H   -3.229300      0.8704000       1.440900    
 H   -2.826500     -0.8655000       1.422300    
 H   0.2946000       2.898300      0.5593000    
 H   0.4201000      -1.752800       1.071600    
 H    4.085900       1.823300      -1.127500    
 H    2.433500       3.570100     -0.5535000    
 H    4.729600     -0.6277000      -1.125300    
 H    2.009400      -3.491100      0.5482000    
 H    4.161900      -2.957200     -0.5545000    
 H   -5.207700      -1.603400       1.000400    


%chk=000078460-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078460

1 1
S -3.514654 -1.123995 0.329770
O -3.268026 -0.811143 2.153378
O -2.272913 -2.039133 -0.175884
O -5.032049 -1.560304 0.025965
N 0.648966 0.938541 0.658032
C -0.819597 0.766816 0.924918
C -1.657731 0.920855 -0.368783
C -3.155757 0.734798 -0.136269
C 1.408527 -0.125459 0.123117
C 2.823124 0.101539 -0.110691
C 1.219233 2.146507 0.938213
C 0.828625 -1.390962 -0.178295
C 3.389388 1.374989 0.192035
C 2.586977 2.397400 0.713930
C 3.618411 -0.965925 -0.640550
C 1.644129 -2.406155 -0.695377
C 3.039930 -2.201809 -0.927832
H -0.982061 -0.213199 1.399839
H -1.113051 1.530682 1.664059
H -1.523851 1.940814 -0.780183
H -1.312931 0.212503 -1.142785
H -3.754637 0.881113 -1.049264
H -3.580749 1.283208 0.717740
H 0.559995 2.911022 1.356072
H -0.237493 -1.597397 -0.032011
H 4.456694 1.543984 0.015068
H 2.991758 3.381134 0.958552
H 4.685622 -0.792539 -0.813574
H 1.194719 -3.376960 -0.926544
H 3.647306 -3.017041 -1.331187
H -3.671702 -1.564482 2.673841


