%chk=000132303.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132303

0 1
 S    2.839600     -0.5508000       2.548200    
 S   -2.062100      -2.505300      -1.911300    
 O    5.028100      0.2113000     -1.1700000E-02
 O   -2.447400       3.382100      0.9867000    
 O   -1.554600      -3.600900      -2.714600    
 O   -2.449500      -1.251200      -2.526100    
 O   -7.877900      0.3841000      0.1263000    
 N   1.6000001E-02  -1.130500       1.243900    
 N   -1.649100     -4.4100001E-02 -0.1025000    
 N  -0.9724000      -2.227500     -0.6209000    
 N    6.803800       1.120700      -2.518000    
 C   -2.517600       2.205800      0.1806000    
 C   -1.562400       1.146400      0.7310000    
 C   -3.948200       1.719900      0.1657000    
 C   0.8632000      -2.251500       1.579200    
 C    1.714500      -1.956600       2.807800    
 C  -0.8898000      -1.046200      0.2000000    
 C    4.083600      -1.396400       1.547100    
 C    5.193200     -0.4632000       1.156200    
 C   -4.665500       1.697900      -1.030400    
 C   -4.551600       1.293100       1.348700    
 C    6.131900      0.9878000     -0.1715000    
 C    6.390300     -0.1260000       1.743800    
 C    6.173200       1.817400      -1.383900    
 C    7.000000      0.8162000      0.8815000    
 C   -5.986100       1.249200      -1.043600    
 C   -5.872200      0.8444000       1.335600    
 C   -6.589500      0.8224000      0.1395000    
 C   -3.453700      -3.121500     -0.9947000    
 C    6.812400       1.972700      -3.692500    
 H   -2.207900       2.486500     -0.8336000    
 H   -1.792100      0.9190000       1.779400    
 H  -0.5443000       1.557100      0.7140000    
 H   0.2334000      -3.120100       1.805400    
 H    1.493600      -2.521700      0.7257000    
 H    1.066900      -1.701600       3.654000    
 H    2.292300      -2.839700       3.099200    
 H   0.1153000     -0.3204000       1.849400    
 H    4.502900      -2.231500       2.118000    
 H    3.626900      -1.800200      0.6385000    
 H   -4.208600       2.025900      -1.960100    
 H   -4.015300       1.313000       2.293200    
 H  -0.3873000      -3.031200     -0.3655000    
 H    6.777300     -0.5100000       2.676800    
 H    5.150100       2.107700      -1.654300    
 H    6.722700       2.741800      -1.165900    
 H    7.953400       1.307300       1.013400    
 H   -6.539500       1.233600      -1.978500    
 H   -6.331700      0.5168000       2.264300    
 H   -1.524600       3.688400      0.9777000    
 H   -4.241600      -3.374900      -1.707400    
 H   -3.150800      -4.014500     -0.4448000    
 H   -3.807100      -2.343100     -0.3157000    
 H    7.764600      0.8816000      -2.272500    
 H    5.795500       2.233200      -4.003700    
 H    7.282300       1.441000      -4.525800    
 H    7.380200       2.893100      -3.521000    
 H   -8.132800      0.1281000       1.029300    


%chk=000132303-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000132303

0 1
S 3.271955 -1.971184 2.174506
S -1.927696 -3.380419 -0.459207
O 3.090500 0.462361 0.058735
O 0.465403 2.072380 1.364753
O -2.344826 -4.920484 -0.764746
O -0.552421 -2.778123 -1.112569
O -3.579644 2.338085 -3.641423
N 0.148548 -2.398823 2.467315
N -1.684734 -0.952794 1.729248
N -1.842236 -3.260927 1.434756
N 2.030038 3.188404 -0.544682
C -0.224713 0.899499 0.839646
C -0.993016 0.305499 2.058923
C -1.131301 1.272194 -0.334881
C 0.899268 -3.633794 2.173368
C 2.351745 -3.549054 2.675807
C -1.102991 -2.117185 1.896978
C 3.012640 -1.991692 0.265499
C 3.641688 -0.782461 -0.322082
C -1.141289 0.512215 -1.531263
C -1.957267 2.422148 -0.256551
C 3.822204 1.465558 -0.612307
C 4.691181 -0.563345 -1.202602
C 3.472130 2.887135 -0.301966
C 4.798935 0.867933 -1.395210
C -1.958498 0.878941 -2.623066
C -2.785547 2.797828 -1.335406
C -2.783790 2.020618 -2.521078
C -3.367019 -2.180497 -0.752158
C 1.689155 4.624586 -0.380279
H 0.507619 0.137943 0.491286
H -1.758457 1.038811 2.369686
H -0.257795 0.232715 2.890024
H 0.440741 -4.509169 2.680867
H 0.891909 -3.844166 1.083760
H 2.391019 -3.524811 3.778956
H 2.915007 -4.428263 2.321361
H 0.731688 -1.597777 2.738440
H 3.486732 -2.899483 -0.138268
H 1.925536 -2.023805 0.076219
H -0.520644 -0.388903 -1.606764
H -1.932428 3.029087 0.655439
H -1.510215 -4.186108 1.756420
H 5.309325 -1.331768 -1.662155
H 3.670560 3.108842 0.765586
H 4.144242 3.539107 -0.903267
H 5.516415 1.386455 -2.028320
H -1.964345 0.300774 -3.552620
H -3.425463 3.687716 -1.257887
H 1.086033 2.444620 0.623129
H -3.368735 -1.955284 -1.827128
H -4.258947 -2.724399 -0.412981
H -3.123510 -1.317411 -0.109982
H 1.729295 2.830590 -1.463545
H 1.880559 4.923729 0.665468
H 0.613617 4.762977 -0.579826
H 2.271427 5.294728 -1.049494
H -4.125585 3.143556 -3.462863


