%chk=000062949.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062949

0 1
 S   0.6061000      0.5219000     -0.5377000    
 O    1.183100      0.9223000      -1.860100    
 N    4.874000     -0.9760000      0.1583000    
 N   -2.457100      0.4988000     -0.7628000    
 N    2.997100      -1.194800       1.325100    
 N   -3.943800      -1.132000      0.2016000    
 N   -3.786500       1.092600       1.080600    
 N   -3.146400      -2.770200      -1.514300    
 C    1.834800      0.8997000      0.7342000    
 C  -0.5612000       1.824800     -4.4300001E-02
 C    3.001600     -2.2000000E-02  0.6310000    
 C   -1.809500       1.782700     -0.9078000    
 C    4.140700      0.1480000     -9.8399997E-02
 C    4.618100       1.216700     -0.9896000    
 C    4.147100      -1.752400       1.017400    
 C   -3.403000      0.2105000      0.2089000    
 C   -4.782200      0.7363000       2.078600    
 C   -3.513000      -2.007000     -0.7208000    
 H    1.361100      0.7867000       1.715100    
 H    2.150700       1.942400      0.6279000    
 H  -6.3199997E-02   2.794100     -0.1473000    
 H  -0.8140000       1.672100       1.010100    
 H   -1.546600       1.925700      -1.962400    
 H   -2.487700       2.600900     -0.6411000    
 H   -2.176800     -0.2112000      -1.432100    
 H    5.787000      -1.196600     -0.2168000    
 H    4.299200       2.200300     -0.6308000    
 H    5.711200       1.227500      -1.053700    
 H    4.220400       1.077200      -1.999700    
 H    4.509700      -2.704500       1.377700    
 H   -4.638200      -1.386900      0.8951000    
 H   -5.735400      0.4597000       1.616200    
 H   -4.971700       1.605600       2.716200    
 H   -4.430300     -7.1500003E-02   2.728400    


%chk=000062949-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000062949

0 1
S 0.765589 -0.038170 1.270562
O 0.430770 -0.571036 -0.307739
N 5.214198 -0.652428 -0.168262
N -1.992645 0.701853 -0.351838
N 4.482686 0.361117 1.709112
N -3.913008 -0.609596 -0.797126
N -3.908101 1.038033 0.991131
N -3.034517 -1.446842 -3.042184
C 2.259056 1.228358 0.929737
C -0.614791 1.302738 1.641548
C 3.519259 0.497536 0.682688
C -1.266435 1.775845 0.330609
C 3.953465 -0.136719 -0.497402
C 3.319565 -0.303485 -1.848086
C 5.491691 -0.333753 1.160891
C -3.292939 0.415044 0.015171
C -5.346192 0.823858 1.225404
C -3.445797 -1.052089 -1.985693
H 2.328704 1.844471 1.839429
H 1.879989 1.794469 0.064458
H -0.103406 2.112359 2.190493
H -1.351695 0.802949 2.289875
H -0.504153 2.172457 -0.363609
H -1.981617 2.580364 0.576904
H -1.356667 -0.029101 -0.723393
H 5.812749 -1.183358 -0.800674
H 2.230336 -0.154747 -1.760394
H 3.732692 0.405636 -2.591187
H 3.466286 -1.327434 -2.238807
H 6.411827 -0.620868 1.663958
H -4.779435 -1.012534 -0.436637
H -5.961157 0.799014 0.296458
H -5.727355 1.651625 1.846860
H -5.543652 -0.114166 1.790442


