%chk=000030188.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030188

0 1
 S   8.8000000E-03  -3.882400     -0.2374000    
 O   0.1848000      -4.554600       1.097100    
 N    4.334300      0.2298000     -0.6355000    
 N   -4.345000      0.1418000      0.5556000    
 N    2.754200       2.018000     -0.3531000    
 N   -2.781800       1.963900      0.4488000    
 N    5.081300       2.362500     -0.6367000    
 N   -5.111100       2.263100      0.7636000    
 N    6.774100       3.555900      0.4354000    
 N    5.425600       2.254600       1.740800    
 N   -6.812600       3.542900     -0.1886000    
 N   -5.455500       2.383400      -1.613300    
 C    1.305400      -2.649800     -0.3566000    
 C   -1.308100      -2.665200      2.4000001E-03
 C    1.645300      -2.112800      -1.598400    
 C   -1.639400      -2.264300       1.288000    
 C    1.974300      -2.227600      0.7923000    
 C   -1.968400      -2.149300      -1.102800    
 C    3.318600     -0.7360000     -0.5420000    
 C   -3.326900     -0.7993000      0.3700000    
 C    2.654100      -1.154000      -1.691300    
 C   -2.654900      -1.325900       1.472900    
 C    2.983000      -1.268600      0.6995000    
 C   -2.983800      -1.211000     -0.9178000    
 C    4.016000       1.490500     -0.5313000    
 C   -4.039900       1.412800      0.5747000    
 C    5.707100       2.690200      0.4648000    
 C   -5.739600       2.691600     -0.3012000    
 H    1.135000      -2.432400      -2.503500    
 H   -1.129000      -2.656000       2.162900    
 H    1.727900      -2.626300       1.772600    
 H   -1.712400      -2.462700      -2.111000    
 H    2.913000     -0.7417000      -2.662800    
 H   -2.914600      -1.010800       2.480200    
 H    3.498800     -0.9446000       1.599500    
 H   -3.502200     -0.8065000      -1.783300    
 H    2.615900       3.021000     -0.2920000    
 H    1.928700       1.434400     -0.2758000    
 H   -2.650500       2.969100      0.4852000    
 H   -1.952300       1.396300      0.3156000    
 H    7.097800       3.959100     -0.4371000    
 H    7.267400       3.818200       1.281700    
 H    4.666800       1.609800       1.932300    
 H    5.972700       2.569300       2.534800    
 H   -7.138900       3.857500      0.7187000    
 H   -7.308000       3.882400      -1.005700    
 H   -4.692300       1.765300      -1.866100    
 H   -6.004900       2.769700      -2.373300    


%chk=000030188-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030188

0 1
S -0.012605 -3.202950 0.310488
O -0.118280 -3.504752 1.958016
N 4.801488 0.601750 0.036253
N -4.779965 0.556243 -0.609838
N 4.144819 2.183384 1.738998
N -4.306893 2.198083 1.096318
N 6.253185 2.358678 0.821622
N -6.306158 2.335016 -0.044302
N 8.410033 2.761891 0.072083
N 7.185401 0.968824 -0.898189
N -8.369735 2.708671 -1.033254
N -7.052446 0.885911 -1.805772
C 1.438946 -1.967244 0.190755
C -1.446404 -1.983385 -0.002945
C 1.924027 -1.519035 -1.052460
C -2.182193 -1.578649 1.121527
C 2.042765 -1.595744 1.401899
C -1.794149 -1.580243 -1.306244
C 3.652463 -0.212814 0.135435
C -3.646986 -0.248405 -0.359394
C 3.027176 -0.641587 -1.074397
C -3.278174 -0.709249 0.945026
C 3.145087 -0.716579 1.375604
C -2.891497 -0.712066 -1.478534
C 5.056122 1.652981 0.837856
C -5.117983 1.633924 0.122726
C 7.255013 2.004763 -0.006812
C -7.214316 1.951354 -0.962323
H 1.460898 -1.839291 -1.993502
H -1.888049 -1.967118 2.105527
H 1.643458 -2.015370 2.334752
H -1.230445 -1.930269 -2.179479
H 3.426480 -0.271592 -2.024453
H -3.885787 -0.420919 1.810389
H 3.651201 -0.454708 2.311811
H -3.185898 -0.376942 -2.478486
H 4.422334 3.019520 2.246268
H 3.199187 1.817226 1.813099
H -4.635792 3.050542 1.541939
H -3.374648 1.837436 1.282448
H 8.416400 3.520861 0.748352
H 9.227751 2.578438 -0.501203
H 6.243295 0.478179 -0.850239
H 7.952193 0.714983 -1.517509
H -8.446972 3.490409 -0.387990
H -9.124397 2.501014 -1.680074
H -6.122624 0.398074 -1.642984
H -7.748527 0.612057 -2.496006


