%chk=000178616.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178616

0 1
 S   0.4801000      0.3000000       2.383500    
 P   0.5035000      0.2239000      0.4086000    
 O    1.087100       1.610700     -0.2412000    
 N   -1.028700      0.1029000     -0.2968000    
 N    1.396200      -1.006500     -0.3242000    
 C   -2.066200       1.047000      0.1276000    
 C   -1.623200      -1.229800     -0.4396000    
 C   -3.192200       1.119100     -0.8897000    
 C   -2.215500      -1.710400      0.8743000    
 C    1.565600     -0.9770000      -1.781500    
 C    2.645600      -1.464000      0.2879000    
 C    2.447600       1.984200     -0.1088000    
 H   -2.448000      0.8711000       1.137700    
 H   -1.610200       2.044600      0.1603000    
 H   -2.377000      -1.258900      -1.233300    
 H  -0.8765000      -1.959300     -0.7665000    
 H   -2.811000       1.213900      -1.912400    
 H   -3.862800      0.2561000     -0.8389000    
 H   -3.806800       2.004300     -0.6908000    
 H   -1.481600      -1.756400       1.680100    
 H   -3.082400      -1.132900       1.205300    
 H   -2.577500      -2.736800      0.7373000    
 H   0.6365000     -0.6942000      -2.284900    
 H    1.836600      -1.968300      -2.161500    
 H    2.337700     -0.2652000      -2.086800    
 H    3.008500      -2.381500     -0.1892000    
 H    2.494700      -1.711700       1.342200    
 H    3.430300     -0.7050000      0.2203000    
 H    2.510100       3.075000     -0.1399000    
 H    3.028300       1.579900     -0.9399000    
 H    2.865300       1.638600      0.8394000    


%chk=000178616-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178616

0 1
S 1.205832 0.060443 2.447109
P 0.610321 0.113948 0.438413
O 0.795157 1.716231 -0.293112
N -1.041072 -0.106595 -0.065987
N 1.465041 -1.038013 -0.542224
C -2.005544 1.024237 -0.012539
C -1.615097 -1.476732 -0.013143
C -2.476226 1.441652 -1.420152
C -2.106856 -1.916555 1.385559
C 1.266790 -1.054509 -2.002831
C 2.606343 -1.811648 -0.033587
C 1.891235 2.565083 0.208168
H -2.871823 0.727693 0.612298
H -1.526716 1.885064 0.483109
H -2.451039 -1.502737 -0.739035
H -0.849488 -2.184835 -0.378863
H -1.618652 1.816274 -2.004480
H -2.927758 0.590756 -1.962909
H -3.235797 2.243699 -1.352123
H -1.274066 -1.906165 2.110160
H -2.898763 -1.246940 1.767198
H -2.522671 -2.940502 1.337970
H 0.374187 -0.464494 -2.267491
H 1.118562 -2.095869 -2.351786
H 2.143829 -0.630071 -2.533220
H 2.477982 -2.882182 -0.288971
H 2.660789 -1.713153 1.064093
H 3.563929 -1.459549 -0.470169
H 1.708668 3.557256 -0.233535
H 2.874394 2.179950 -0.121695
H 1.872609 2.621662 1.312375


