%chk=000017676.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017676

0 1
 S   -3.010700      0.9037000       2.114200    
 O    7.296400     -0.5289000       1.142100    
 O    2.016200       4.458900     -0.6457000    
 N    1.095800      -1.776700     -4.5100000E-02
 N    3.983700      -1.752300      8.9500003E-02
 N   -1.977400     -0.1138000     -0.6358000    
 C    1.913100      -2.419300      -1.081700    
 C    1.799000      -1.789600       1.243400    
 C    3.280600      -1.737400      -1.199000    
 C    3.167100      -1.108900       1.126000    
 C  -0.2069000      -2.429700      6.7900002E-02
 C   -1.021600      -2.309600      -1.223800    
 C    5.287300      -1.101100     -2.2900000E-02
 C   -1.280800     -0.8745000      -1.681200    
 C    6.031100      -1.156700       1.301900    
 C   -1.326200       1.035700     -0.1212000    
 C   -3.275500     -0.5490000     -0.2672000    
 C   -1.720300       1.605400       1.105600    
 C   -3.862900     -0.1364000      0.9452000    
 C  -0.2847000       1.682000     -0.8224000    
 C   -4.051400      -1.380200      -1.104700    
 C   -1.075800       2.750000       1.607900    
 C   0.3493000       2.822000     -0.3209000    
 C   -5.153600     -0.5652000       1.302500    
 C  -4.4599999E-02   3.354700      0.8971000    
 C   -5.335800      -1.799300     -0.7471000    
 C   -5.886100      -1.394200      0.4593000    
 C    1.428000       3.445300      -1.071700    
 C    1.866500       2.865200      -2.411900    
 H    2.049900      -3.488300     -0.8697000    
 H    1.450400      -2.335600      -2.069500    
 H    1.208300      -1.247100       1.992000    
 H    1.926800      -2.817500       1.609400    
 H    3.871700      -2.276200      -1.949600    
 H    3.149700     -0.7087000      -1.562300    
 H    3.033800     -3.8600001E-02  0.9181000    
 H    3.618600      -1.204900       2.117400    
 H  -8.9299999E-02  -3.493200      0.3157000    
 H  -0.7768000      -1.984500      0.8923000    
 H  -0.5486000      -2.863400      -2.042800    
 H   -1.956900      -2.853200      -1.057000    
 H    5.193700     -5.6699999E-02 -0.3500000    
 H    5.896500      -1.604000     -0.7851000    
 H  -0.3019000     -0.4889000      -1.965700    
 H   -1.850900     -0.8578000      -2.617900    
 H    6.194000      -2.190600       1.624200    
 H    5.530700     -0.6044000       2.099900    
 H  -2.0999999E-03   1.344700      -1.810800    
 H   -3.696000      -1.710100      -2.076900    
 H   -1.371700       3.183100       2.561400    
 H   -5.603300     -0.2563000       2.244000    
 H    7.758100     -0.5932000       1.995600    
 H   0.4315000       4.237600       1.314300    
 H   -5.903900      -2.437300      -1.417800    
 H   -6.883100      -1.717400      0.7422000    
 H    1.049300       2.922700      -3.135400    
 H    2.215600       1.837000      -2.285300    
 H    2.702300       3.456500      -2.799700    


%chk=000017676-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017676

0 1
S -2.903296 0.459740 2.307127
O 7.533926 -0.498931 0.738030
O 1.784831 4.676233 -0.391520
N 1.173103 -2.054813 -0.085473
N 4.041854 -1.677808 0.105711
N -1.943189 -0.229932 -0.535013
C 2.113073 -2.924490 -0.832338
C 1.799673 -1.568743 1.168304
C 3.413502 -2.164793 -1.145298
C 3.096368 -0.807663 0.848334
C -0.169557 -2.655612 0.107244
C -1.061344 -2.505580 -1.148608
C 5.363860 -1.047029 -0.121897
C -1.205871 -1.020223 -1.552466
C 6.249824 -1.106075 1.130007
C -1.359608 0.958479 0.001579
C -3.320539 -0.527524 -0.300869
C -1.741243 1.438685 1.288047
C -3.937575 -0.200312 0.938581
C -0.387135 1.702622 -0.714843
C -4.126757 -1.150545 -1.293264
C -1.176157 2.613838 1.828881
C 0.224496 2.855394 -0.158346
C -5.304704 -0.444480 1.169354
C -0.182415 3.314022 1.122140
C -5.488439 -1.432572 -1.050643
C -6.089179 -1.075789 0.176449
C 1.294435 3.617491 -0.886482
C 1.795836 3.089930 -2.228783
H 2.365445 -3.844658 -0.247121
H 1.641562 -3.243270 -1.780347
H 1.091539 -0.888207 1.675913
H 2.039235 -2.409642 1.866080
H 4.121374 -2.842807 -1.657279
H 3.174509 -1.321170 -1.844426
H 2.835933 0.107776 0.255580
H 3.565991 -0.477023 1.791946
H -0.107301 -3.734690 0.390805
H -0.661404 -2.129580 0.946649
H -0.619217 -3.050746 -2.006214
H -2.046902 -2.966457 -0.950216
H 5.280089 0.015724 -0.456230
H 5.884957 -1.599733 -0.925039
H -0.178255 -0.628450 -1.603719
H -1.665023 -0.920224 -2.556527
H 6.375207 -2.164126 1.438129
H 5.789719 -0.543100 1.969543
H -0.105913 1.380867 -1.720323
H -3.692253 -1.412594 -2.261825
H -1.507129 2.961186 2.813213
H -5.747307 -0.158881 2.129575
H 8.145388 -0.488490 1.515929
H 0.289966 4.211659 1.532011
H -6.080944 -1.922457 -1.831035
H -7.147152 -1.284844 0.363447
H 0.980467 3.062566 -2.975981
H 2.190625 2.060936 -2.128576
H 2.595219 3.750712 -2.596607


