%chk=000001758.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001758

0 1
 S   -4.780900      0.3269000     -0.4998000    
 O    1.419100      -1.774100      0.8132000    
 O   -4.959300       1.776800     -0.5492000    
 O   -5.072300     -0.4886000      -1.675800    
 N    1.781800      0.5146000      0.8293000    
 N    7.773900      0.1581000     -0.9462000    
 N   -5.731400     -0.2646000      0.8078000    
 C    3.997700      0.3934000     -0.2135000    
 C    5.505100      0.3149000      4.9800001E-02
 C    3.213500      0.4491000       1.097500    
 C    6.344800      0.2290000      -1.226400    
 C  -0.4272000     -0.3858000      0.4105000    
 C    1.008600     -0.6210000      0.7108000    
 C   -3.093200      5.0900001E-02 -0.1472000    
 C   -1.135700      -1.360900     -0.2603000    
 C   -1.006200      0.8003000      0.8118000    
 C   -2.483900      -1.140100     -0.5422000    
 C   -2.354300       1.021000      0.5299000    
 H    3.772200       1.279700     -0.8192000    
 H    3.681600     -0.4781000     -0.8001000    
 H    5.713000     -0.5616000      0.6770000    
 H    5.812500       1.196300      0.6274000    
 H    3.476100       1.345200       1.669000    
 H    3.424000     -0.4314000       1.714100    
 H    6.054500     -0.6553000      -1.804100    
 H    6.152200       1.103100      -1.857900    
 H    1.398500       1.436600      0.6529000    
 H  -0.6754000      -2.291900     -0.5774000    
 H  -0.4790000       1.563800       1.374100    
 H   -3.039600      -1.914400      -1.063500    
 H   -2.811400       1.948900      0.8620000    
 H    7.964600     -0.6491000     -0.3535000    
 H    8.054900      0.9739000     -0.4033000    
 H   -6.197300      0.4307000       1.403600    
 H   -6.289200      -1.110700      0.6394000    


%chk=000001758-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001758

0 1
S -4.993846 0.282700 -0.532266
O 1.457405 -1.739219 0.770975
O -5.282048 1.886297 -0.547447
O -5.370769 -0.714829 -1.762821
N 1.814162 0.559892 0.841135
N 7.943494 0.109942 -0.972251
N -5.838220 -0.377005 0.962653
C 4.113085 0.430733 -0.192212
C 5.620683 0.269908 0.107306
C 3.260590 0.431667 1.098648
C 6.492869 0.271761 -1.179841
C -0.458720 -0.290777 0.411148
C 1.004872 -0.553139 0.688810
C -3.168333 0.039288 -0.136097
C -1.191646 -1.331246 -0.215205
C -1.115527 0.916339 0.767019
C -2.562194 -1.172821 -0.503609
C -2.489289 1.092541 0.494107
H 3.943295 1.372738 -0.753819
H 3.768933 -0.398442 -0.839885
H 5.791653 -0.679344 0.656082
H 5.964271 1.088781 0.774592
H 3.574349 1.258396 1.764520
H 3.406971 -0.521108 1.636491
H 6.149922 -0.539674 -1.850911
H 6.327349 1.219032 -1.729968
H 1.441678 1.485191 0.623681
H -0.665405 -2.259163 -0.459084
H -0.579106 1.714233 1.292625
H -3.136890 -1.951258 -1.014990
H -3.014719 2.018928 0.746215
H 8.218061 -0.803915 -0.599651
H 8.387621 0.879505 -0.462432
H -6.400113 0.385729 1.375894
H -6.402134 -1.196065 0.681088


