%chk=000083142.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083142

0 1
 S   -1.557000      0.4582000     -0.9881000    
 S   -4.940800      0.6277000      -1.935100    
 P   -3.624200      0.4957000     -0.4863000    
 O   -3.903700     -0.7914000      0.4829000    
 O    1.011300      -2.251900     -0.1297000    
 O    1.307400       2.296400      0.7026000    
 O   -3.818000       1.669300      0.6358000    
 N   0.7339000      3.8600001E-02  0.3439000    
 C    2.820300     -0.7200000     -0.1046000    
 C    2.907800      0.6416000      0.1447000    
 C    1.418600      -1.115700      2.6400000E-02
 C    1.563100       1.136200      0.4387000    
 C  -0.6991000      9.2000000E-02  0.5547000    
 C    3.930600      -1.478600     -0.4133000    
 C    4.110300       1.316600      9.8499998E-02
 C    5.160100     -0.8158000     -0.4665000    
 C    5.249100      0.5683000     -0.2129000    
 C   -3.850600      -2.108200     -4.0700000E-02
 C   -4.147100      -3.092900       1.070200    
 C   -3.671700       3.033900      0.2789000    
 H   -1.042800     -0.8729000      0.9379000    
 H  -0.9277000      0.8758000       1.282700    
 H    3.862600      -2.542500     -0.6078000    
 H    4.179100       2.380300      0.2937000    
 H    6.061900      -1.373300     -0.7062000    
 H    6.218100       1.058200     -0.2607000    
 H   -4.591400      -2.222100     -0.8370000    
 H   -2.856500      -2.299500     -0.4548000    
 H   -4.114600      -4.121400      0.7000000    
 H   -3.420700      -2.986600       1.882600    
 H   -5.136100      -2.902900       1.500400    
 H   -3.497700       3.614000       1.188700    
 H   -4.588600       3.390900     -0.1963000    
 H   -2.824400       3.174400     -0.3962000    


%chk=000083142-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083142

0 1
S -1.551383 1.448615 -1.059817
S -4.861131 0.397919 -2.206179
P -3.631699 0.584481 -0.561852
O -3.311586 -0.780207 0.448535
O 0.139808 -1.704522 0.177516
O 1.794845 2.688367 0.596835
O -4.156820 1.571184 0.768342
N 0.640588 0.608116 0.449516
C 2.449928 -0.790560 0.003491
C 2.949947 0.529350 0.129534
C 0.967523 -0.762794 0.201688
C 1.805629 1.449612 0.411925
C -0.699729 1.108523 0.644153
C 3.301906 -1.872891 -0.262554
C 4.317556 0.810935 -0.006160
C 4.687206 -1.598341 -0.403497
C 5.187306 -0.277200 -0.277497
C -3.097981 -2.109893 -0.214384
C -2.920060 -3.109732 0.921294
C -4.692251 2.910121 0.438079
H -1.323890 0.360989 1.158309
H -0.657334 2.064319 1.182946
H 2.905593 -2.888541 -0.357598
H 4.691643 1.834539 0.093251
H 5.382853 -2.417590 -0.613700
H 6.261263 -0.096627 -0.392442
H -3.981878 -2.331469 -0.841210
H -2.190960 -2.051039 -0.841830
H -2.790522 -4.123398 0.498502
H -2.020992 -2.864391 1.509418
H -3.801281 -3.115032 1.584844
H -4.998799 3.327560 1.408207
H -5.562253 2.828001 -0.238201
H -3.911547 3.543995 -0.022365


