%chk=000059703.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059703

0 1
 S    2.237300       1.072100      -1.957600    
 S  -0.6176000       2.002300       1.938500    
 O   -2.202100     -0.9390000     -0.9051000    
 O   -1.906000      -1.250800       1.371400    
 N   0.7416000      -2.998200      0.6562000    
 C   0.7167000      -2.034100     -0.4412000    
 C  -5.0099999E-02 -0.7828000     -7.4600004E-02
 C   0.4274000      0.4879000     -3.9299998E-02
 C    1.811300      0.7542000     -0.3454000    
 C  -0.4650000       1.564500      0.3044000    
 C   -1.486200      -1.023700      0.2472000    
 C    1.379700      -2.415000       1.836400    
 C    1.438300      -4.218900      0.2506000    
 C    2.859500      0.7852000      0.5185000    
 C   -1.233000       2.307200     -0.5372000    
 C    4.075000       1.083000     -0.1624000    
 C   -1.984500       3.282500      0.1800000    
 C    3.880300       1.262500      -1.514200    
 C   -1.744600       3.226700       1.535300    
 C   -3.611200      -1.142800     -0.7645000    
 C   -4.267000      -1.022700      -2.097100    
 H   0.2146000      -2.483200      -1.308900    
 H    1.737200      -1.809800     -0.7714000    
 H    2.405900      -2.087800       1.633600    
 H    1.422100      -3.155600       2.644100    
 H   0.8151000      -1.571800       2.246400    
 H    2.485600      -4.031400     -1.3300000E-02
 H   0.9417000      -4.677200     -0.6120000    
 H    1.413600      -4.961500       1.056000    
 H    2.786600      0.6087000       1.584300    
 H   -1.273000       2.177200      -1.611500    
 H    5.043100       1.161600      0.3150000    
 H   -2.666900       3.988500     -0.2751000    
 H    4.624200       1.496300      -2.262600    
 H   -2.177600       3.846100       2.308000    
 H   -3.792100      -2.140000     -0.3473000    
 H   -4.017600     -0.3903000     -7.9000004E-02
 H   -5.347700      -1.173200      -2.022000    
 H   -4.082100     -3.5900000E-02  -2.534900    
 H   -3.860400      -1.757800      -2.799800    


%chk=000059703-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059703

0 1
S 2.707959 2.288846 -1.249027
S 0.213404 3.355696 1.288261
O -2.169561 -1.176393 -0.763799
O -1.875949 -0.566713 1.469144
N 0.465324 -2.851298 0.281598
C 0.702185 -1.692438 -0.617741
C 0.012383 -0.441080 -0.100340
C 0.576961 0.817951 -0.005145
C 2.035627 1.032440 -0.113901
C -0.277835 2.005637 0.172138
C -1.413086 -0.698132 0.312289
C 1.084746 -2.707447 1.613329
C 0.789235 -4.137046 -0.363632
C 3.074234 0.402727 0.567999
C -1.512854 2.288370 -0.410109
C 4.387562 0.878119 0.220774
C -2.089592 3.537051 0.007414
C 4.373005 1.879678 -0.738521
C -1.300358 4.230645 0.913608
C -3.546964 -1.650067 -0.425909
C -4.180959 -2.127584 -1.728430
H 0.232369 -1.944980 -1.590027
H 1.781878 -1.497113 -0.806735
H 2.204761 -2.694227 1.582361
H 0.772959 -3.551805 2.253367
H 0.731210 -1.776739 2.090378
H 1.876408 -4.255473 -0.604756
H 0.217383 -4.236578 -1.303666
H 0.499194 -4.968048 0.304019
H 2.887878 -0.361884 1.325255
H -1.973612 1.620137 -1.142550
H 5.306572 0.498943 0.673929
H -3.047759 3.913258 -0.358647
H 5.209615 2.418536 -1.180229
H -1.486316 5.192849 1.387925
H -3.452770 -2.456920 0.323264
H -4.102329 -0.813640 0.036392
H -5.204920 -2.496135 -1.534102
H -4.241474 -1.306484 -2.463466
H -3.594415 -2.949655 -2.173212


