%chk=000039602.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039602

0 1
 S    2.956100      0.6808000      0.2118000    
 O   0.4909000     -0.6322000      -2.268900    
 O   -3.041700      -1.896000      0.1318000    
 O    1.095400      -1.644000       2.220400    
 N   0.8538000     -0.9782000      6.2000002E-03
 N   -1.034900      -1.653100       1.290100    
 N    5.439600       1.578200      0.1294000    
 N    5.137300     -0.6871000     -0.4656000    
 C   -1.393500     -0.3610000     -0.7668000    
 C   -2.240900     -0.4399000      -2.055800    
 C   6.4400002E-02 -0.6796000      -1.114500    
 C   -1.537000       1.076600     -0.2200000    
 C   -1.923600      -1.390500      0.2366000    
 C   0.3586000      -1.419000       1.254600    
 C   -2.191900      -1.828700      -2.654600    
 C   -2.575300       1.377200      0.6517000    
 C  -0.6257000       2.050600     -0.6063000    
 C    2.302500     -0.9601000     -0.1605000    
 C   -1.559600      -2.340300       2.464500    
 C   -2.704900       2.675100       1.145800    
 C  -0.7553000       3.348500     -0.1121000    
 C   -1.794900       3.660700      0.7640000    
 C    4.680600      0.4620000     -8.1799999E-02
 H   -1.879600      0.2806000      -2.801900    
 H   -3.288600     -0.1753000      -1.860200    
 H   -2.693700      -1.806300      -3.629700    
 H   -1.185000      -2.208300      -2.839400    
 H   -2.725800      -2.578900      -2.067400    
 H   -3.311200      0.6402000      0.9562000    
 H   0.1798000       1.851900      -1.305100    
 H    2.557700      -1.222600      -1.192100    
 H    2.766300      -1.698700      0.5011000    
 H   -2.649400      -2.271600       2.516600    
 H   -1.128600      -1.907000       3.372100    
 H   -1.264500      -3.392600       2.405900    
 H   -3.516700       2.919700       1.824600    
 H  -5.0299998E-02   4.117700     -0.4138000    
 H   -1.897000       4.671900       1.147000    
 H    5.019400       2.451000      0.4302000    
 H    6.444300       1.568900     -8.8999998E-03
 H    6.154000     -0.6166000     -0.5827000    


%chk=000039602-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039602

0 1
S 3.308205 0.245542 0.936525
O 1.073662 -0.297135 -1.704319
O -3.123290 -1.502727 0.200456
O 0.827637 -2.148339 2.569159
N 0.965524 -1.226612 0.418017
N -1.163325 -1.756342 1.426746
N 4.756822 1.786584 -0.729920
N 4.492997 -0.540346 -1.412076
C -1.137976 -0.330148 -0.646464
C -1.750770 -0.434975 -2.080411
C 0.368689 -0.626028 -0.718139
C -1.349817 1.121161 -0.094474
C -1.892813 -1.262474 0.321846
C 0.243066 -1.712326 1.544605
C -1.636206 -1.832227 -2.722870
C -2.674059 1.570314 0.152024
C -0.268902 2.009568 0.130437
C 2.428767 -1.363034 0.452585
C -1.887994 -2.430747 2.532627
C -2.910891 2.883537 0.609709
C -0.511669 3.323502 0.592308
C -1.830089 3.767629 0.832981
C 4.300236 0.478479 -0.632854
H -1.234416 0.313286 -2.706753
H -2.812647 -0.144556 -2.007822
H -2.098670 -1.820757 -3.726134
H -0.582014 -2.135814 -2.849617
H -2.163367 -2.596657 -2.124573
H -3.517950 0.889014 -0.002650
H 0.763414 1.695721 -0.054158
H 2.843308 -1.588544 -0.548558
H 2.692562 -2.117712 1.201974
H -2.960647 -2.383469 2.298481
H -1.670903 -1.918293 3.482997
H -1.564179 -3.480627 2.617774
H -3.939007 3.213870 0.794951
H 0.334383 3.998356 0.764057
H -2.013924 4.786525 1.191321
H 4.408238 2.512430 -0.106138
H 5.432310 2.043191 -1.447303
H 4.986807 -0.364822 -2.303849


