%chk=000131299.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131299

0 1
 S    1.184800       2.586400     -0.5361000    
 S    1.354500      0.7206000      -1.378700    
 O   -2.476300      -1.084700     -0.6709000    
 O   -2.927000     -0.2159000       1.406900    
 O   -2.491800       3.138700      -1.126300    
 O   -1.873400       4.435900      0.6272000    
 O   0.9770000      -1.538600       1.399400    
 O    1.389800      -2.741200     -0.3902000    
 N   -1.599800      0.9123000     -0.1254000    
 N    3.949400      0.8553000     -0.8702000    
 N    1.681900      -1.811500      0.3989000    
 C   -3.264400      -2.233800     -0.3576000    
 C   -2.647700      -2.930800      0.8542000    
 C   -3.240800      -3.153800      -1.576200    
 C   -4.691100      -1.777300     -5.6000002E-02
 C   -1.304600       2.079200      0.6737000    
 C   -2.385100     -0.1345000      0.3095000    
 C   0.1942000       2.219600      0.9506000    
 C   -1.903200       3.342100      7.6499999E-02
 C    2.849500      0.1092000     -0.6221000    
 C    2.850600      -1.040800      0.1507000    
 C    4.058000      -1.451500      0.7048000    
 C    5.211200     -0.7101000      0.4722000    
 C    5.104500      0.4252000     -0.3150000    
 H   -1.562000      -3.026300      0.7394000    
 H   -2.826600      -2.431300       1.809300    
 H   -3.062100      -3.939900      0.9658000    
 H   -2.212900      -3.442600      -1.824600    
 H   -3.639600      -2.640100      -2.458400    
 H   -3.826000      -4.064400      -1.411500    
 H   -4.827400      -1.334500      0.9338000    
 H   -5.031100      -1.038600     -0.7911000    
 H   -5.380600      -2.629300     -9.3599997E-02
 H   -1.812200       1.952100       1.638200    
 H   -1.231300      0.8713000      -1.070800    
 H   0.3527000       3.060600       1.635300    
 H   0.5913000       1.330400       1.451700    
 H   -2.877100       3.964000      -1.490400    
 H    4.116400      -2.346300       1.319400    
 H    6.163200      -1.011100      0.8939000    
 H    5.974400       1.038200     -0.5262000    


%chk=000131299-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131299

0 1
S 1.192747 2.820370 -0.359740
S 1.515191 0.851748 -1.468148
O -2.624907 -0.995199 -0.639622
O -2.823039 -0.065029 1.539615
O -2.501249 3.428103 -1.333467
O -1.752130 4.695276 0.462625
O 0.690330 -0.985370 1.059803
O 1.469754 -2.955274 0.202244
N -1.829804 1.082035 -0.240724
N 4.164992 0.795754 -0.722840
N 1.590019 -1.700047 0.479101
C -3.269004 -2.331824 -0.280580
C -2.432110 -3.033777 0.806430
C -3.197113 -3.081563 -1.621813
C -4.727048 -2.085342 0.156130
C -1.512649 2.248362 0.563974
C -2.461127 -0.011698 0.331275
C -0.027730 2.329164 1.007920
C -1.924555 3.579660 -0.073120
C 2.973969 0.168677 -0.567720
C 2.883802 -1.054980 0.151145
C 4.057017 -1.694727 0.610356
C 5.289211 -1.038464 0.426078
C 5.289814 0.227856 -0.208785
H -1.380610 -3.135918 0.486525
H -2.461491 -2.469450 1.751460
H -2.843531 -4.045065 0.982493
H -2.147981 -3.198067 -1.943384
H -3.745761 -2.531199 -2.405645
H -3.646205 -4.085238 -1.514717
H -4.763619 -1.516103 1.098449
H -5.275061 -1.527418 -0.624039
H -5.234584 -3.055593 0.308350
H -2.102868 2.142558 1.499115
H -1.613539 1.060156 -1.236800
H 0.102741 3.136500 1.751051
H 0.292621 1.364964 1.429190
H -2.729904 4.325241 -1.700307
H 3.986477 -2.664714 1.111350
H 6.224290 -1.484836 0.774946
H 6.213944 0.802671 -0.328075


