%chk=000149560.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149560

0 1
 S   -5.636700       1.024300       1.246600    
 O   -1.954000      -1.262300      -2.832700    
 O   -6.892600      0.8442000       1.950900    
 O   -4.586100       1.847200       1.812100    
 N   0.2451000     -0.8707000      -1.121100    
 N    3.950700     -0.4137000      0.7836000    
 N   -5.033200     -0.5270000      0.8047000    
 C    1.501800     -0.7158000     -0.4753000    
 C    2.098200      0.5476000     -0.4135000    
 C    2.131000      -1.828100      9.2799999E-02
 C    3.340400      0.6543000      0.2346000    
 C    3.371800      -1.628500      0.7211000    
 C    3.336100       3.039500     -0.2582000    
 C    3.939300       1.909600      0.2995000    
 C    1.488500       1.682600     -0.9760000    
 C   -1.072500     -0.7880000     -0.6521000    
 C    2.108100       2.926200     -0.8975000    
 C    4.011800       4.366000     -0.1674000    
 C    1.554700      -3.109400      4.5200001E-02
 C    4.003300      -2.732000       1.288700    
 C   -2.158800     -0.9854000      -1.513800    
 C   -1.313200     -0.5035000      0.6976000    
 C   -3.695800     -0.6156000      0.3131000    
 C    2.206500      -4.196200      0.6202000    
 C   -3.465200     -0.8996000      -1.033000    
 C    3.433400      -4.006800       1.243200    
 C   -2.619800     -0.4176000       1.178400    
 C    3.615800       5.134300       1.091000    
 C   -6.035100       1.675600     -0.3601000    
 C   -1.873500     -0.1511000      -3.722500    
 H   0.3348000      -1.117100      -2.102400    
 H    4.901600       2.010800      0.7999000    
 H   0.5305000       1.628700      -1.486500    
 H    1.624100       3.794200      -1.336200    
 H    5.100800       4.234100     -0.1857000    
 H    3.772500       4.969400      -1.052000    
 H   0.5988000      -3.293800     -0.4382000    
 H    4.965700      -2.609400       1.782600    
 H  -0.4959000     -0.3468000       1.396800    
 H    1.759900      -5.185000      0.5811000    
 H   -4.301500      -1.053900      -1.710900    
 H    3.950600      -4.848100       1.694800    
 H   -2.783100     -0.2083000       2.232300    
 H    2.537200       5.322500       1.117100    
 H    4.130600       6.099700       1.121700    
 H    3.882600       4.577200       1.995400    
 H   -5.701600      -1.129500      0.3058000    
 H   -6.737300       1.001200     -0.8537000    
 H   -6.500500       2.653800     -0.2193000    
 H   -5.119100       1.786600     -0.9425000    
 H   -1.055600      0.5182000      -3.438000    
 H   -2.820200      0.3983000      -3.733600    
 H   -1.678800     -0.5318000      -4.728900    


%chk=000149560-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149560

0 1
S -4.316181 2.680692 1.150722
O -1.770712 -2.444042 -2.543312
O -4.101347 2.238437 2.719147
O -3.001994 1.671084 0.131710
N 0.078134 -1.389297 -1.060108
N 3.898027 -0.163132 0.511761
N -5.319790 -0.293417 0.131178
C 1.306663 -0.946762 -0.513503
C 1.647611 0.437925 -0.388790
C 2.276354 -1.937718 -0.143309
C 2.957243 0.772670 0.166175
C 3.575351 -1.484243 0.341639
C 2.467367 3.189000 -0.067169
C 3.315943 2.157386 0.328025
C 0.809103 1.519409 -0.835195
C -1.229240 -1.012034 -0.706877
C 1.205108 2.841863 -0.675849
C 2.829118 4.652164 0.133233
C 2.023129 -3.352661 -0.206367
C 4.572923 -2.464717 0.680841
C -2.293848 -1.612841 -1.550017
C -1.586490 -0.202822 0.345971
C -4.070161 -0.521786 -0.230158
C 3.011353 -4.273466 0.136680
C -3.633163 -1.383825 -1.329966
C 4.304530 -3.825712 0.572364
C -3.001851 0.233910 0.567009
C 1.985701 5.323002 1.250979
C -3.194821 4.217528 0.960750
C -2.708386 -3.124726 -3.444601
H 0.120135 -2.187235 -1.700244
H 4.299129 2.360278 0.765567
H -0.153678 1.299980 -1.302005
H 0.547367 3.646095 -1.028566
H 3.902220 4.741421 0.384045
H 2.673707 5.207764 -0.813304
H 1.030546 -3.715555 -0.496054
H 5.539197 -2.087696 1.029595
H -0.832262 0.228565 1.007959
H 2.798662 -5.347165 0.090399
H -4.402838 -1.843133 -1.959782
H 5.071629 -4.562536 0.834639
H -3.268651 0.215512 1.643938
H 0.905040 5.267754 1.023638
H 2.257062 6.388784 1.361003
H 2.150678 4.821436 2.221170
H -6.010144 -0.784104 -0.478967
H -3.685580 5.048289 1.490251
H -2.238568 3.940477 1.424942
H -3.080948 4.422419 -0.113656
H -3.299900 -2.386821 -4.017151
H -3.383222 -3.790628 -2.874920
H -2.079152 -3.714670 -4.125758


