%chk=000005083.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005083

0 1
 S   -4.857100     -0.2902000     -8.0700003E-02
 O    2.931000      -2.324600       2.588200    
 O    3.164400       2.244700       2.440600    
 N  -0.9860000      -2.834900      0.2326000    
 N  -0.6813000       2.981300      3.0000000E-03
 N    3.345200     -4.6799999E-02   2.772800    
 N   -5.630100       2.140200      0.5866000    
 N   -3.774600       1.287600       1.773600    
 C   0.7894000      -1.570400      0.6677000    
 C    1.672800     -0.6813000       1.356100    
 C   0.9695000      -2.171500     -0.6117000    
 C  -0.1573000      -2.958400     -0.8596000    
 C    1.733800      0.6626000       1.321300    
 C  -0.4237000      -1.999200       1.160000    
 C   0.9560000       1.589700      0.5597000    
 C   -2.268800      -3.485000      0.3930000    
 C    1.229700       2.101600     -0.7396000    
 C   0.1872000       2.972000      -1.065000    
 C   -3.417000      -2.636000     -0.1545000    
 C    2.714300      -1.159500       2.300900    
 C  -0.2252000       2.148900      0.9898000    
 C    2.821500       1.092200       2.236900    
 C    1.987800      -2.119500      -1.584200    
 C  -0.3173000      -3.699000      -2.036200    
 C    2.267300       1.907200      -1.672900    
 C    1.841500      -2.855200      -2.765800    
 C   0.7059000      -3.632100      -2.986400    
 C   -3.498200      -1.299400      0.5762000    
 C   0.1304000       3.660700      -2.282000    
 C   -1.902100       3.753400      8.7800004E-02
 C    2.223700       2.589400      -2.894300    
 C    1.170700       3.452200      -3.192000    
 C   -4.703500       1.179000      0.8782000    
 H  -0.9255000      -1.782500       2.094600    
 H   -2.410400      -3.684800       1.462100    
 H   -2.232900      -4.457400     -0.1088000    
 H   -4.353400      -3.193500     -3.1099999E-02
 H   -3.272300      -2.471500      -1.229800    
 H  -0.7759000       2.023200       1.913200    
 H    2.880000      -1.520000      -1.427800    
 H   -1.198600      -4.303700      -2.220100    
 H    4.108300     -6.4199999E-02   3.439700    
 H    3.096000       1.239100      -1.456300    
 H    2.623700      -2.818700      -3.519500    
 H   0.6125000      -4.194600      -3.911900    
 H   -3.650500      -1.459800       1.648600    
 H   -2.587200     -0.7155000      0.4271000    
 H  -0.6870000       4.332700      -2.521200    
 H   -2.636800       3.305200     -0.5856000    
 H   -2.272000       3.741100       1.115700    
 H   -1.686900       4.784400     -0.2045000    
 H    3.021300       2.443200      -3.618000    
 H    1.156700       3.971500      -4.146900    
 H   -5.639900       3.029900       1.073100    
 H   -6.334200       1.992600     -0.1282000    
 H   -3.852500       2.207100       2.221500    


%chk=000005083-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005083

0 1
S -5.240817 -0.918201 1.270984
O 2.054852 -2.034557 3.405516
O 3.627705 2.147773 1.996679
N -1.103031 -3.178186 0.615337
N -0.315948 2.303774 -1.424624
N 3.057778 0.069170 2.960703
N -5.503128 1.747826 1.304389
N -3.246785 0.951216 0.867058
C 0.535191 -1.575568 0.798607
C 1.461907 -0.642846 1.418151
C 0.306276 -1.843453 -0.619519
C -0.729537 -2.837419 -0.700739
C 1.870042 0.637337 1.024947
C -0.331130 -2.429262 1.502063
C 1.294964 1.491841 -0.000884
C -2.288150 -3.969700 0.977492
C 1.878552 2.585181 -0.785512
C 0.847708 3.055847 -1.674770
C -3.612546 -3.186326 0.755736
C 2.175730 -1.003229 2.691307
C -0.043019 1.371980 -0.435001
C 2.947175 1.089279 1.985513
C 0.898392 -1.373494 -1.820077
C -1.198928 -3.347079 -1.929902
C 3.155738 3.201813 -0.853173
C 0.437698 -1.881099 -3.052382
C -0.602679 -2.852491 -3.108946
C -3.668707 -1.913751 1.616484
C 1.051293 4.089608 -2.613225
C -1.581597 2.431381 -2.149935
C 3.368659 4.234466 -1.789093
C 2.332553 4.676175 -2.661186
C -4.514922 0.788194 1.125299
H -0.439579 -2.539794 2.578645
H -2.188768 -4.266311 2.037263
H -2.301412 -4.897389 0.375810
H -4.455296 -3.863130 0.997093
H -3.707442 -2.911693 -0.310505
H -0.821308 0.698233 -0.079884
H 1.705762 -0.635993 -1.790534
H -1.985642 -4.107639 -1.978101
H 3.704365 0.101472 3.748265
H 3.947337 2.898094 -0.164838
H 0.890418 -1.526618 -3.984988
H -0.938432 -3.228675 -4.081746
H -3.658313 -2.145388 2.695191
H -2.851000 -1.210687 1.376473
H 0.251924 4.425187 -3.282840
H -1.446676 2.181631 -3.218610
H -2.316406 1.734264 -1.716482
H -1.973462 3.462864 -2.077314
H 4.351750 4.715382 -1.841963
H 2.532874 5.482789 -3.375341
H -5.307888 2.731257 1.125185
H -6.425082 1.488964 1.652646
H -2.906609 1.930482 0.905277


