%chk=000060303.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060303

0 1
 S    4.232700     -0.7354000      -1.302400    
 O   -2.147400     -8.0799997E-02   1.000400    
 O    5.753200       2.203400      0.6841000    
 O    6.623500      -1.232000      -2.277100    
 N    6.382500      0.5525000     -0.8081000    
 C   -2.731100      -1.208300      0.3299000    
 C   -2.079000      -2.516800      0.7725000    
 C  -0.6075000      -2.498800      0.3786000    
 C   1.6899999E-02  -1.181500      0.7389000    
 C   -4.219600      -1.206900      0.6564000    
 C  -0.7763000     -5.9799999E-02   1.014400    
 C    2.003700      0.1620000       1.110600    
 C    1.411800      -1.056600      0.7765000    
 C    3.490000      0.2816000       1.153700    
 C  -0.1817000       1.156000       1.361500    
 C   -4.963800     -0.1680000     -0.1388000    
 C    4.078000      0.6970000     -0.1922000    
 C    1.207300       1.266100       1.406900    
 C    5.476500       1.250700     -3.6899999E-02
 C   -5.108500       1.112900      0.3762000    
 C   -5.494900     -0.5047000      -1.376300    
 C    5.951700     -0.5158000      -1.549900    
 C   -5.797900       2.076000     -0.3606000    
 C   -6.184200      0.4584000      -2.113100    
 C   -6.335700       1.748700      -1.605200    
 H   -2.586100      -1.076100     -0.7521000    
 H   -2.572400      -3.384200      0.3204000    
 H   -2.157900      -2.617600       1.863100    
 H  -0.5097000      -2.648200     -0.7035000    
 H  -8.7499999E-02  -3.321400      0.8827000    
 H   -4.382200      -1.030100       1.727900    
 H   -4.662000      -2.188000      0.4398000    
 H    2.029000      -1.925600      0.5610000    
 H    3.750100       1.026000       1.919200    
 H    3.941300     -0.6491000       1.524900    
 H  -0.7954000       2.023200       1.590700    
 H    3.474400       1.464300     -0.6902000    
 H    1.655900       2.220400       1.670200    
 H   -4.694100       1.379100       1.344500    
 H   -5.380500      -1.505900      -1.782200    
 H    7.361300      0.8211000     -0.8156000    
 H   -5.915800       3.080700      3.4699999E-02
 H   -6.602500      0.2040000      -3.082600    
 H   -6.872300       2.498600      -2.179000    


%chk=000060303-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060303

0 1
S 4.026957 -0.308469 -1.507273
O -2.162855 -0.114008 0.873372
O 6.142401 1.953488 1.030655
O 6.471488 -0.958223 -2.639403
N 6.467592 0.526145 -0.804774
C -2.770687 -1.336901 0.267404
C -2.077484 -2.593654 0.824572
C -0.579037 -2.582675 0.448313
C 0.055493 -1.233028 0.759018
C -4.277241 -1.264971 0.587375
C -0.758632 -0.085224 0.957385
C 2.058564 0.158781 1.192513
C 1.456494 -1.082631 0.881407
C 3.569310 0.303128 1.277146
C -0.181954 1.165047 1.284920
C -5.034218 -0.193617 -0.187037
C 4.187437 0.882192 -0.025686
C 1.214710 1.282844 1.400206
C 5.680321 1.198090 0.141503
C -4.920438 1.178915 0.157016
C -5.863607 -0.550743 -1.281181
C 5.864742 -0.315523 -1.764900
C -5.615525 2.165834 -0.576263
C -6.560008 0.434714 -2.018438
C -6.437793 1.798338 -1.667439
H -2.608079 -1.273900 -0.829304
H -2.569799 -3.494754 0.414109
H -2.202772 -2.612666 1.924459
H -0.470458 -2.807845 -0.632301
H -0.040453 -3.383398 0.988431
H -4.373136 -1.103841 1.678256
H -4.710428 -2.258482 0.362699
H 2.094219 -1.963721 0.730239
H 3.850028 1.003246 2.087817
H 4.049036 -0.668123 1.496076
H -0.842518 2.023045 1.443025
H 3.660869 1.811518 -0.303261
H 1.653586 2.253699 1.662739
H -4.275176 1.466179 0.993682
H -5.970009 -1.608366 -1.555175
H 7.486232 0.635398 -0.806735
H -5.517026 3.221317 -0.297500
H -7.198188 0.139234 -2.859140
H -6.978153 2.564711 -2.234627


