%chk=000116328.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116328

0 1
 S  -6.9999998E-04   3.028300       0.000000    
 S    4.466700      -2.270100       0.000000    
 S   -4.474500      -2.264600       0.000000    
 O  -2.0900000E-02   3.759400      -1.259300    
 O   6.1799999E-02   3.758600       1.259500    
 N    6.048700      -4.376100     -2.9000000E-03
 N   -6.059100      -4.368700      2.9000000E-03
 N    7.132100      -2.277700     -2.4999999E-03
 N   -7.140000      -2.268800      2.4999999E-03
 C    1.437400       1.991600     -1.9999999E-04
 C   -1.418100       2.009100      1.9999999E-04
 C    1.980000       1.598400      -1.208200    
 C   -1.983200       1.600800       1.208200    
 C    1.981500       1.599500       1.207700    
 C   -1.984600       1.601900      -1.207700    
 C    3.676500      0.3730000     -6.9999998E-04
 C   -3.681000      0.3776000      6.0000003E-04
 C    3.110500      0.7812000      -1.208500    
 C   -3.114600      0.7850000       1.208400    
 C    3.112000      0.7823000       1.207400    
 C   -3.116000      0.7862000      -1.207400    
 C    4.885500     -0.5002000     -1.3000000E-03
 C   -4.891200     -0.4942000      1.3000000E-03
 C    6.064300      -3.009900     -1.1000000E-03
 C   -6.073100      -3.002400      1.1000000E-03
 H    1.548700       1.899700      -2.157600    
 H   -1.554500       1.900800       2.160200    
 H    1.551900       1.898200       2.158700    
 H   -1.557600       1.899700      -2.161100    
 H    3.538800      0.4675000      -2.156800    
 H   -3.543600      0.4720000       2.156800    
 H    3.541200      0.4690000       2.155500    
 H   -3.545900      0.4738000      -2.155500    
 H    5.502400     -0.2755000      0.8769000    
 H    5.501000     -0.2765000     -0.8808000    
 H   -5.507800     -0.2688000     -0.8770000    
 H   -5.506400     -0.2696000      0.8808000    
 H    5.175700      -4.892300     -3.3000000E-03
 H    6.907900      -4.915000     -5.2000000E-03
 H   -5.186700      -4.885900      3.1999999E-03
 H   -6.919000      -4.906500      5.1000002E-03
 H    7.954000      -2.891500     -4.1000000E-03
 H   -7.962700      -2.881700      4.0000002E-03


%chk=000116328-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116328

0 1
S 0.001056 2.909998 -0.001874
S 4.552338 -2.556029 1.010985
S -4.558137 -2.550447 -1.008029
O 0.385640 3.686552 -1.393695
O -0.382365 3.688403 1.389245
N 5.404246 -4.030127 -1.064582
N -5.413215 -4.020318 1.069227
N 5.917184 -1.653847 -1.203370
N -5.922238 -1.642987 1.204605
C 1.458213 1.766241 0.405469
C -1.457769 1.768038 -0.408044
C 2.308233 1.372191 -0.640848
C -2.308819 1.377060 0.638589
C 1.667008 1.420481 1.748595
C -1.666599 1.420390 -1.750678
C 3.653695 0.159008 1.023631
C -3.655536 0.163238 -1.024395
C 3.413229 0.555772 -0.320380
C -3.414971 0.561853 0.319046
C 2.779949 0.603752 2.049835
C -2.780702 0.604908 -2.051000
C 4.851321 -0.701014 1.346624
C -4.854336 -0.695499 -1.346424
C 5.412845 -2.710528 -0.629488
C -5.419481 -2.701298 0.632336
H 2.125232 1.722905 -1.661943
H -2.125570 1.729147 1.659167
H 1.000016 1.806047 2.526783
H -0.998765 1.803628 -2.529291
H 4.106959 0.216632 -1.097734
H -4.109520 0.225047 1.096684
H 2.973714 0.317296 3.090166
H -2.974499 0.317027 -3.090932
H 5.137020 -0.653491 2.408783
H 5.711497 -0.467170 0.694437
H -5.139692 -0.649116 -2.408728
H -5.714333 -0.459428 -0.694816
H 5.001067 -4.772339 -0.495031
H 5.790090 -4.273184 -1.974794
H -5.011336 -4.764019 0.500700
H -5.799581 -4.261468 1.979725
H 6.414813 -1.814295 -2.097638
H -6.420503 -1.801411 2.098883


