%chk=000050218.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050218

0 1
 S    8.577500     -5.2499998E-02  0.3197000    
 O   -1.997100      -2.306500     -0.2955000    
 O    9.032400      0.2142000       1.867300    
 O   -9.341000      0.4817000      0.5220000    
 O    8.978300      -1.411900     -1.2300000E-02
 O    9.030800       1.071700     -0.4844000    
 N    2.200400     -4.9199998E-02 -0.7738000    
 N   -3.387100      9.4300002E-02 -0.7057000    
 N    2.646800      0.1446000      0.3807000    
 N   -3.794600      0.3158000      0.4582000    
 C   0.1245000       1.200000     -0.9631000    
 C   0.8011000     -2.4999999E-03 -0.7579000    
 C   -1.987800      5.2800000E-02 -0.7213000    
 C   -1.269900       1.227700     -0.9449000    
 C   -1.311400      -1.149600     -0.5162000    
 C   8.2999997E-02  -1.177300     -0.5345000    
 C   0.8717000       2.470400      -1.206700    
 C    6.832500      5.9000002E-03  0.3383000    
 C    4.051500      9.7400002E-02  0.3652000    
 C    6.172500       1.217000      0.1300000    
 C    6.098400      -1.159200      0.5601000    
 C    4.778300       1.262900      0.1436000    
 C    4.704400      -1.113400      0.5735000    
 C   -5.199300      0.3579000      0.4744000    
 C   -5.922300     -0.8098000      0.6969000    
 C   -5.856400       1.566900      0.2683000    
 C   -7.980600      0.4411000      0.5072000    
 C   -7.316500     -0.7681000      0.7133000    
 C   -7.250600       1.608600      0.2847000    
 C   -2.344700      -3.081900      -1.440800    
 C   -10.02490     -0.7489000      0.7537000    
 H   -1.803400       2.162100      -1.104300    
 H   0.6074000      -2.116500     -0.3742000    
 H    1.597100       2.344100      -2.017300    
 H   0.2021000       3.285900      -1.501200    
 H    1.396500       2.783300     -0.2983000    
 H    6.722700       2.138600     -3.6899999E-02
 H    6.591100      -2.112100      0.7317000    
 H    4.271800       2.210800     -1.6899999E-02
 H    4.140000      -2.025200      0.7494000    
 H   -5.411500      -1.755600      0.8585000    
 H   -5.295200       2.481300      9.4899997E-02
 H   -7.820900      -1.711600      0.8916000    
 H   -7.762300       2.553400      0.1234000    
 H   -1.443800      -3.412700      -1.967300    
 H   -2.985600      -2.507400      -2.117000    
 H   -2.895800      -3.963600      -1.102600    
 H    8.722100     -0.4561000       2.520700    
 H   -9.800800      -1.153100       1.746700    
 H   -9.829400      -1.474200     -4.3400001E-02
 H   -11.09780     -0.5315000      0.7317000    


%chk=000050218-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050218

0 1
S 9.057131 0.085364 -0.181522
O -1.445549 -2.638571 0.164139
O 9.268174 0.230561 1.661175
O -9.697469 0.482510 -0.102670
O 9.751420 -1.292098 -0.670885
O 9.468495 1.498272 -0.854998
N 2.281152 0.419234 -0.168003
N -3.353461 -0.347862 -0.043506
N 3.033224 -0.653680 -0.094934
N -4.066606 0.752612 -0.183032
C 0.036982 1.343400 -0.240743
C 0.878334 0.177259 -0.135441
C -1.948967 -0.148866 -0.077280
C -1.346463 1.143037 -0.209041
C -1.087187 -1.301085 0.030542
C 0.310561 -1.111457 -0.002803
C 0.627009 2.732508 -0.381947
C 7.197514 -0.102783 -0.143053
C 4.439574 -0.382114 -0.118167
C 6.414708 1.066545 -0.198101
C 6.672500 -1.403657 -0.077748
C 5.017146 0.919881 -0.188222
C 5.269773 -1.534395 -0.067665
C -5.472251 0.561832 -0.141905
C -6.135586 -0.685165 0.051747
C -6.255095 1.741909 -0.312767
C -8.303449 0.434349 -0.103348
C -7.537874 -0.753767 0.072047
C -7.654186 1.683518 -0.295036
C -2.834505 -3.113330 0.251003
C -10.435446 -0.773132 0.084268
H -2.032385 1.991767 -0.286408
H 0.965211 -1.983122 0.077568
H 1.245668 2.815176 -1.293246
H -0.173090 3.490051 -0.433160
H 1.287505 2.976230 0.468910
H 6.890623 2.050146 -0.261239
H 7.334782 -2.274034 -0.050878
H 4.353837 1.788141 -0.230094
H 4.791765 -2.517230 -0.018033
H -5.531045 -1.586946 0.185348
H -5.730816 2.691505 -0.459365
H -8.029586 -1.719372 0.223458
H -8.268704 2.578612 -0.425904
H -3.400616 -2.855720 -0.659860
H -3.348628 -2.678188 1.124591
H -2.731485 -4.204999 0.357172
H 10.245175 0.355603 1.843086
H -10.209793 -1.226302 1.068229
H -10.207601 -1.493995 -0.723711
H -11.496218 -0.488153 0.040631


