%chk=000134305.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134305

0 1
 S   -3.221300       1.589600      -1.871000    
 S   -4.743000      0.7274000     -0.7916000    
 O   0.2517000       2.680200       1.304500    
 O    3.692000       2.633300     -0.6978000    
 N    2.586400       1.316700      0.8724000    
 N  -0.2690000       2.346300     -0.9341000    
 N   -3.227500      -1.469900     -0.5961000    
 C    1.441700      0.9674000      6.9399998E-02
 C   0.8421000     -0.3845000      0.4730000    
 C    1.614500      -1.555300     -8.4100001E-02
 C   0.4118000       2.077600      0.2452000    
 C   -1.265000       3.386500      -1.056100    
 C    2.665500      -2.109000      0.6471000    
 C    1.277800      -2.083400      -1.330500    
 C    3.617800       2.123500      0.4171000    
 C   -2.673300       2.902600     -0.7382000    
 C    3.379500      -3.190900      0.1318000    
 C    1.991800      -3.165200      -1.845600    
 C    3.042600      -3.718900      -1.114600    
 C    4.674200       2.349500       1.465400    
 C   -3.875000     -0.5301000      0.1284000    
 C   -3.897900     -0.4980000       1.513500    
 C   -3.211800      -1.494400       2.198900    
 C   -2.533700      -2.478600       1.488400    
 C   -2.572000      -2.422300      0.1045000    
 H    1.761800      0.9466000     -0.9803000    
 H   0.7725000     -0.4727000       1.565600    
 H  -0.1934000     -0.4529000      0.1148000    
 H    2.598000       1.013100       1.842200    
 H  -8.0799997E-02   1.782100      -1.757500    
 H   -1.001200       4.204600     -0.3764000    
 H   -1.206700       3.776900      -2.078300    
 H    2.937500      -1.707100       1.619400    
 H   0.4622000      -1.659200      -1.910200    
 H   -2.693700       2.525900      0.2905000    
 H   -3.375100       3.739600     -0.8109000    
 H    4.197900      -3.622100      0.7010000    
 H    1.729700      -3.576200      -2.816100    
 H    3.598700      -4.561200      -1.515800    
 H    4.931300       1.407000       1.957300    
 H    5.575200       2.755900      0.9978000    
 H    4.301500       3.058900       2.209200    
 H   -4.427300      0.2722000       2.065000    
 H   -3.204500      -1.503500       3.284700    
 H   -1.990600      -3.263900       2.001500    
 H   -2.057600      -3.165300     -0.4961000    


%chk=000134305-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000134305

0 1
S -4.338883 2.653498 0.237082
S -4.236516 0.463464 0.867826
O 1.095727 3.135141 1.298813
O 1.570503 -0.137949 -2.125140
N 2.328584 1.010361 -0.248112
N -0.856412 2.292321 0.308168
N -2.171731 0.017497 -0.941987
C 1.106992 0.807681 0.550953
C 1.418663 0.184950 1.936127
C 2.163661 -1.146371 1.914492
C 0.436410 2.186539 0.753963
C -1.584586 3.562068 0.413382
C 2.998437 -1.485506 3.010934
C 2.019401 -2.087976 0.862556
C 2.474043 0.545970 -1.537245
C -2.900454 3.453743 1.195861
C 3.662058 -2.731388 3.066969
C 2.683597 -3.334560 0.914022
C 3.505122 -3.664513 2.016249
C 3.794359 0.878385 -2.220612
C -3.425948 -0.357724 -0.572438
C -4.130031 -1.414380 -1.198164
C -3.489194 -2.122167 -2.240205
C -2.186617 -1.739003 -2.629799
C -1.561220 -0.659799 -1.963729
H 0.452772 0.144224 -0.035854
H 1.985799 0.927110 2.530276
H 0.447915 0.054097 2.458304
H 3.034837 1.629521 0.156570
H -1.325811 1.471672 -0.150092
H -0.909945 4.269545 0.932848
H -1.787602 3.969662 -0.596519
H 3.128454 -0.765205 3.828852
H 1.401389 -1.851141 -0.011018
H -2.778257 2.897914 2.138978
H -3.293175 4.462251 1.423829
H 4.300604 -2.971403 3.924928
H 2.561236 -4.046657 0.089742
H 4.018783 -4.631794 2.053870
H 4.438310 1.548704 -1.626366
H 4.343636 -0.059372 -2.415351
H 3.587137 1.347914 -3.196968
H -5.147262 -1.656538 -0.879598
H -4.005574 -2.946868 -2.742340
H -1.653745 -2.257817 -3.431639
H -0.540166 -0.347302 -2.215114


