%chk=000178033.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178033

0 1
 S  -0.4668000      -1.243000      -1.289800    
 P   -2.115700      -1.737700     -9.0700001E-02
 O   -2.757700     -0.4228000      0.6100000    
 O   -1.735900      -2.780000      0.9277000    
 N    3.069500      0.2134000      3.9200000E-02
 C    2.056300     -0.2601000     -0.8991000    
 C   -3.048500       1.973600      0.6320000    
 C   0.7943000     -0.6550000     -0.1423000    
 C    4.276300      0.6309000     -0.6754000    
 C    3.390900     -0.8272000       1.016600    
 C   -3.198700      0.6761000     -0.1671000    
 C   -3.607800       3.154100     -0.1589000    
 C   -1.587800       2.230100       1.008700    
 C    3.963700       1.712000      -1.696000    
 C    4.397400     -0.3277000       2.039200    
 C   -3.429400      -2.336800      -1.154000    
 H    1.766900      0.5345000      -1.595400    
 H    2.433500      -1.105500      -1.490500    
 H   -3.615600       1.875900       1.566500    
 H   0.3985000      0.1859000      0.4316000    
 H   0.9458000      -1.496600      0.5351000    
 H    4.771200     -0.2127000      -1.173000    
 H    4.998300       1.077200      1.6100001E-02
 H    3.764800      -1.741600      0.5392000    
 H    2.518400      -1.096900       1.616600    
 H   -2.637000      0.7374000      -1.104400    
 H   -4.251400      0.5078000     -0.4185000    
 H   -3.062300       3.298400      -1.097700    
 H   -4.663800       2.994200     -0.4013000    
 H   -3.535300       4.080400      0.4208000    
 H   -1.489300       3.174100       1.555500    
 H  -0.9523000       2.288200      0.1189000    
 H   -1.204400       1.436100       1.657000    
 H    3.473300       1.315500      -2.590500    
 H    3.344100       2.508800      -1.270000    
 H    4.897700       2.174400      -2.035600    
 H    5.410800     -0.2624000       1.631600    
 H    4.113200      0.6489000       2.446200    
 H    4.445900      -1.029200       2.880100    
 H   -3.687800      -1.599100      -1.918500    
 H   -4.324400      -2.552500     -0.5639000    
 H   -3.118600      -3.256600      -1.657400    


%chk=000178033-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178033

0 1
S -0.363633 0.238577 -2.301763
P -1.511516 -0.845999 -0.609885
O -3.115666 -0.180854 -0.660079
O -0.707510 -0.762641 0.777146
N 3.288159 -0.114396 -0.277958
C 2.209809 -0.460142 -1.229520
C -3.925216 1.669451 0.835710
C 1.167551 0.672944 -1.245554
C 4.651075 -0.490880 -0.730151
C 2.979399 -0.525184 1.121520
C -3.384740 1.278225 -0.552447
C -4.570055 3.075224 0.738245
C -2.836864 1.629381 1.930881
C 5.178052 0.407073 -1.866221
C 3.622051 0.399575 2.172634
C -1.928344 -2.554272 -1.202073
H 2.630064 -0.587071 -2.243215
H 1.706863 -1.420110 -0.963675
H -4.717739 0.936939 1.090228
H 1.575799 1.597005 -1.685785
H 0.800230 0.878792 -0.226588
H 4.696732 -1.564538 -1.045430
H 5.328073 -0.392056 0.137946
H 3.298866 -1.582043 1.302636
H 1.880936 -0.508419 1.247702
H -2.468203 1.849858 -0.807363
H -4.145266 1.466142 -1.331598
H -3.823066 3.834339 0.434863
H -5.398570 3.097682 0.005470
H -4.975032 3.381275 1.719482
H -3.280119 1.832396 2.923171
H -2.065765 2.402221 1.742121
H -2.323541 0.652774 1.973006
H 4.542850 0.344469 -2.769007
H 5.199363 1.460825 -1.537740
H 6.201412 0.103859 -2.156873
H 4.725466 0.405887 2.101065
H 3.267075 1.435739 2.034305
H 3.353501 0.066806 3.192742
H -2.409755 -2.487109 -2.188402
H -2.614166 -3.019679 -0.476880
H -0.998264 -3.137565 -1.274068


