%chk=000048620.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048620

0 1
 S   -2.215600      0.3280000     -0.8787000    
 O   -5.925500      -2.758800     -0.2867000    
 O   -6.765700      -1.495500       1.389800    
 N   -6.860500      0.7915000     -0.1522000    
 C    2.451500     -0.1157000      6.1400000E-02
 C    1.071400     -0.3219000      0.3049000    
 C   0.1893000      0.7687000      0.3993000    
 C    2.878600       1.229700     -7.8199998E-02
 C   0.6340000       2.090000      0.2579000    
 C    1.999300       2.325500      1.5500000E-02
 C    3.327100      -1.256500     -2.9400000E-02
 C   -1.274500      0.5224000      0.6586000    
 C    2.786100      -2.559300      0.1273000    
 C   0.5758000      -1.620100      0.4536000    
 C    1.419800      -2.722000      0.3662000    
 C    4.305200       1.620800     -0.3375000    
 C  -0.2490000       3.179400      0.3526000    
 C    2.451700       3.648800     -0.1272000    
 C    4.722000      -1.173400     -0.2691000    
 C   -3.851300      6.1799999E-02 -0.1563000    
 C    3.612700      -3.693000      4.4500001E-02
 C   0.2149000       4.486700      0.2087000    
 C    1.564700       4.721400     -3.1099999E-02
 C   -4.886500     -0.1803000      -1.257200    
 C    5.533100      -2.308800     -0.3493000    
 C   -6.307900     -0.4091000     -0.7249000    
 C    4.978100      -3.569100     -0.1925000    
 C   -6.378700      -1.591400      0.2301000    
 H   -1.441500     -0.3402000       1.309900    
 H   -1.722500       1.317700       1.261200    
 H  -0.4683000      -1.862500      0.6146000    
 H   0.9912000      -3.715900      0.4824000    
 H    4.921400       1.309800      0.5137000    
 H    4.614100       1.223700      -1.311000    
 H    4.599400       2.659100     -0.4344000    
 H   -1.316600       3.081000      0.5137000    
 H    3.462500       3.976000     -0.3159000    
 H    5.319200     -0.2985000     -0.4155000    
 H   -4.114200      0.9457000      0.4323000    
 H   -3.797800     -0.8002000      0.5157000    
 H    3.196000      -4.691500      0.1650000    
 H  -0.4774000       5.320700      0.2783000    
 H   -4.897000      0.6670000      -1.956600    
 H   -4.587400      -1.059100      -1.844600    
 H    1.925600       5.739700     -0.1447000    
 H    6.598700      -2.205700     -0.5349000    
 H   -6.950400     -0.6775000      -1.573000    
 H    5.603700      -4.454300     -0.2539000    
 H   -6.790300       1.563000     -0.8143000    
 H   -6.328300       1.075300      0.6687000    
 H   -5.963000      -3.488600      0.3676000    


%chk=000048620-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048620

0 1
S -2.253944 0.149489 -0.949968
O -6.581026 -2.734676 -0.390720
O -6.732461 -1.429156 1.524017
N -6.931161 0.868867 -0.008582
C 2.574268 -0.063168 0.113213
C 1.140673 -0.304524 0.298621
C 0.210469 0.772403 0.325231
C 3.047844 1.281789 0.151961
C 0.673585 2.107128 0.081785
C 2.103291 2.364927 0.052936
C 3.455396 -1.238839 -0.072120
C -1.247608 0.537499 0.638752
C 2.950723 -2.560013 0.213041
C 0.682427 -1.667505 0.507187
C 1.550418 -2.734080 0.530857
C 4.508143 1.642905 0.398325
C -0.233976 3.210227 -0.097199
C 2.542705 3.728541 -0.100472
C 4.774990 -1.161366 -0.618740
C -3.952355 -0.087919 -0.140504
C 3.796479 -3.701516 0.087807
C 0.230717 4.512888 -0.264449
C 1.637051 4.776592 -0.256220
C -5.005721 -0.297028 -1.239358
C 5.589232 -2.298162 -0.761943
C -6.482074 -0.339851 -0.688070
C 5.114142 -3.578466 -0.373836
C -6.623729 -1.509821 0.279988
H -1.393751 -0.312757 1.322478
H -1.709401 1.425378 1.097935
H -0.386916 -1.851530 0.635478
H 1.180776 -3.748877 0.719674
H 5.053773 0.812731 0.870945
H 5.053749 1.926508 -0.523690
H 4.567154 2.505340 1.084915
H -1.309314 3.014042 -0.147007
H 3.613503 3.947101 -0.134609
H 5.155741 -0.208422 -0.987494
H -4.182161 0.813829 0.455129
H -3.893388 -0.958318 0.537086
H 3.385045 -4.688409 0.331382
H -0.477000 5.335319 -0.416296
H -4.954547 0.536685 -1.966620
H -4.805094 -1.232163 -1.794481
H 2.000335 5.801250 -0.391885
H 6.591873 -2.193308 -1.191028
H -7.127600 -0.565761 -1.560868
H 5.756141 -4.460542 -0.470709
H -6.745613 1.758120 -0.468204
H -6.888453 0.857817 1.011025
H -6.646150 -3.476697 0.269706


