%chk=000084092.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084092

0 1
 S   -2.367300      0.5593000     -0.8130000    
 O    3.076200      -1.416000     -0.7631000    
 O   0.4437000      -2.737500      0.8786000    
 N    2.015300       1.878200      0.3899000    
 N   -4.982900      0.4490000      -1.102400    
 N   -4.161200     -0.1207000       1.037400    
 C   0.9150000     -0.6481000     -7.9400003E-02
 C   0.1119000      0.3879000      0.3849000    
 C    2.267600     -0.4223000     -0.3091000    
 C   -1.342400      0.2027000      0.6475000    
 C    2.764200      0.8473000     -6.1400000E-02
 C   0.3300000      -2.000300     -0.3314000    
 C   0.7051000       1.621000      0.6019000    
 C    4.209800       1.144100     -0.2916000    
 C   -3.985100      0.2553000     -0.1889000    
 H   -1.556600     -0.8005000       1.030000    
 H   -1.647600      0.8870000       1.449500    
 H  -0.7154000      -1.982900     -0.6473000    
 H   0.8676000      -2.538300      -1.119900    
 H   0.1330000       2.470500      0.9623000    
 H    4.475800      0.9896000      -1.342200    
 H    4.434300       2.188500     -4.8099998E-02
 H    4.841600      0.5174000      0.3460000    
 H    3.988500      -1.106300     -0.8729000    
 H    1.382400      -2.763300       1.131800    
 H   -5.957000      0.3038000     -0.8605000    
 H   -4.777700      0.7435000      -2.051000    
 H   -5.165700     -0.2455000       1.204100    


%chk=000084092-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000084092

0 1
S -2.462759 1.148496 -0.779739
O 2.577998 -1.586840 -0.592963
O 0.402905 -2.767081 0.570953
N 2.289598 1.978888 0.419529
N -4.726984 -0.211068 -1.287663
N -3.539504 -0.879326 0.731426
C 0.629714 -0.333743 0.081571
C 0.073994 0.909388 0.501238
C 2.025462 -0.355616 -0.161405
C -1.390493 1.092958 0.802127
C 2.837247 0.797340 0.010104
C -0.185076 -1.606971 -0.113694
C 0.948453 2.017614 0.650815
C 4.328586 0.762550 -0.257462
C -3.713875 -0.160004 -0.339243
H -1.849413 0.259407 1.370285
H -1.571364 2.044787 1.324407
H -1.196826 -1.504787 0.307413
H -0.283598 -1.807704 -1.203435
H 0.551028 2.986717 0.975778
H 4.563168 0.495596 -1.307972
H 4.736712 1.766836 -0.067925
H 4.858845 0.051402 0.407941
H 3.552150 -1.506066 -0.741439
H 1.325280 -2.876942 0.214756
H -5.449963 -0.925688 -1.229997
H -4.766948 0.460840 -2.052488
H -4.261237 -1.587584 0.948781


