%chk=000158216.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158216

0 1
 S   -1.726200     -0.1711000      -2.931800    
 P   -1.439100     -0.3080000     -0.9995000    
 O   -2.817700     -0.1518000     -0.1361000    
 O   -1.012400      -1.810600     -0.5191000    
 O    4.973400       1.853700      0.4133000    
 N  -0.3397000      0.7284000     -0.2990000    
 N   0.9684000      0.4778000     -0.6794000    
 N    4.224900      0.9526000      0.7895000    
 C   -3.465200       1.107100     -4.8099998E-02
 C  -0.9881000      -2.140000      0.8603000    
 C   -4.712300      0.9597000      0.8102000    
 C  -0.1136000      -3.368900       1.056900    
 C   -5.468600       2.269900      0.9373000    
 C    1.314900      -3.123900      0.6051000    
 C    1.979700      0.7388000      0.1815000    
 C    3.298200      0.6210000     -0.1197000    
 C    1.504900       1.210000       1.537500    
 C    3.818600      0.1551000      -1.458800    
 H   -3.732700       1.449600      -1.052400    
 H   -2.783100       1.835900      0.4009000    
 H   -2.010600      -2.357900       1.184600    
 H  -0.6110000      -1.303200       1.453700    
 H   -5.366900      0.1928000      0.3789000    
 H   -4.432700      0.5923000       1.804900    
 H  -0.1214000      -3.660400       2.112700    
 H  -0.5211000      -4.205400      0.4771000    
 H  -0.5230000       1.723400     -0.4256000    
 H    1.161900      0.2717000      -1.651300    
 H   -4.843900       3.039900       1.401200    
 H   -5.790900       2.633600     -4.3600000E-02
 H   -6.359200       2.135200       1.559000    
 H    1.366700      -2.881600     -0.4610000    
 H    1.767300      -2.301600       1.168100    
 H    1.921400      -4.019500      0.7733000    
 H   0.9635000       2.160200       1.457600    
 H    2.313600       1.386800       2.253600    
 H   0.8558000      0.4651000       2.011000    
 H    4.153400       1.007600      -2.059900    
 H    4.666300     -0.5286000      -1.329500    
 H    3.071500     -0.3946000      -2.038300    


%chk=000158216-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158216

0 1
S -0.901628 0.157801 -2.568749
P -1.013487 0.099292 -0.518153
O -2.341996 0.856946 0.323998
O -0.988193 -1.531889 0.066652
O 5.979830 0.744678 -1.043902
N 0.195438 1.040389 0.369257
N 1.398251 1.382210 -0.251407
N 4.927631 0.444275 -0.336098
C -3.733745 0.567140 -0.124788
C -1.065453 -1.787704 1.540437
C -4.632336 1.643805 0.486752
C -0.930506 -3.302348 1.719517
C -6.111387 1.426403 0.093648
C 0.438945 -3.853424 1.272126
C 2.600457 0.748683 0.036560
C 3.724866 1.088128 -0.731009
C 2.623514 -0.250967 1.163378
C 3.685281 2.061734 -1.889480
H -4.020390 -0.444415 0.224016
H -3.768816 0.588986 -1.231996
H -2.037195 -1.415840 1.917715
H -0.244905 -1.238724 2.042525
H -4.523351 1.623586 1.587253
H -4.285947 2.635761 0.142801
H -1.101771 -3.526044 2.792290
H -1.742467 -3.796645 1.153822
H -0.194764 1.738520 1.013795
H 1.347791 1.994695 -1.073745
H -6.245810 1.463789 -1.003226
H -6.484828 0.447575 0.448067
H -6.750017 2.210056 0.537363
H 0.622700 -3.617995 0.209965
H 1.261697 -3.419062 1.871474
H 0.479735 -4.950382 1.393540
H 2.209035 0.187006 2.088896
H 3.662438 -0.571348 1.323629
H 2.006099 -1.131511 0.907974
H 3.414499 3.087883 -1.572240
H 4.701792 2.099214 -2.323101
H 2.983992 1.740841 -2.684456


