%chk=000081156.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081156

0 1
 S    3.385000      -1.349900     -0.4466000    
 O  -0.5044000      0.4951000      -1.300100    
 O    4.801800       1.342600      0.8351000    
 N    1.015700     -0.9108000      0.5143000    
 N    2.524300      0.9793000      0.4740000    
 C   0.9246000      -2.264800     -1.9099999E-02
 C    2.349400      -2.804700     -8.7800004E-02
 C  -0.1929000     -0.2554000      0.9665000    
 C    2.199800     -0.2513000      0.2670000    
 C   -1.017600      0.1808000     -0.2283000    
 C   -2.503400      0.2260000     -9.1799997E-02
 C   -3.043700      0.4943000       1.144900    
 C   -3.274600     -2.6000000E-03  -1.208000    
 C   -4.432200      0.5362000       1.272400    
 C   -4.663000      3.9400000E-02  -1.080800    
 C    3.798600       1.370500      0.1246000    
 C   -5.241800      0.3088000      0.1595000    
 C    3.874300       1.866400      -1.295700    
 H   0.4797000      -2.240800      -1.021300    
 H   0.3015000      -2.908800      0.6109000    
 H    2.654700      -3.211800      0.8815000    
 H    2.462300      -3.579300     -0.8507000    
 H  -0.7617000     -0.9568000       1.585900    
 H   3.9299998E-02  0.6255000       1.574900    
 H   -2.436000      0.6922000       2.021700    
 H   -2.837400     -0.2188000      -2.178000    
 H   -4.883200      0.7499000       2.237100    
 H   -5.293600     -0.1388000      -1.946900    
 H   -6.322900      0.3422000      0.2584000    
 H    3.907500       2.959100      -1.287400    
 H    4.780100       1.476900      -1.768600    
 H    3.011000       1.545000      -1.885400    


%chk=000081156-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081156

0 1
S 3.665790 -1.786647 -0.448678
O -0.905173 -1.398351 -1.551274
O 4.453890 0.802680 -1.008138
N 1.142836 -1.344315 0.341618
N 2.269094 0.676152 -0.105329
C 1.176914 -2.817038 0.177555
C 2.650122 -3.241938 0.281996
C -0.104180 -0.640888 0.631251
C 2.261810 -0.646229 -0.057662
C -1.158840 -0.760032 -0.490110
C -2.487074 -0.099487 -0.270462
C -2.779877 0.668837 0.890090
C -3.482661 -0.245337 -1.275642
C -4.044254 1.276695 1.039691
C -4.744244 0.361203 -1.124088
C 3.417222 1.371211 -0.535255
C -5.028485 1.123633 0.035204
C 3.298682 2.878250 -0.405473
H 0.743597 -3.080196 -0.805271
H 0.566279 -3.286154 0.971056
H 2.976328 -3.385657 1.323770
H 2.865358 -4.139450 -0.315093
H -0.537313 -1.015102 1.580669
H 0.163163 0.425451 0.765866
H -2.028353 0.806012 1.674708
H -3.235773 -0.835729 -2.164345
H -4.262861 1.870129 1.933905
H -5.505146 0.245085 -1.903260
H -6.009473 1.597024 0.153777
H 3.085103 3.152716 0.643213
H 4.228450 3.362868 -0.738289
H 2.450269 3.240203 -1.013803


