%chk=000051030.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051030

0 1
 S    2.158400       1.188500     -0.2538000    
 O   -2.140300      -1.821600     -0.6987000    
 N   -4.069800      0.1390000     -0.4502000    
 N  -0.4846000     -0.1912000     -0.5556000    
 N    2.953800      -1.334600      1.2900000E-02
 C   -6.444500      0.4605000       1.222900    
 C   -5.374100     -0.5824000       1.524400    
 C   -6.443200      0.8117000     -0.2604000    
 C   -4.008400     -0.1488000      0.9896000    
 C   -5.043500       1.201400     -0.7385000    
 C   -2.747200      0.5064000     -0.9553000    
 C   -1.789000     -0.6438000     -0.7182000    
 C   0.5824000      -1.016000     -0.3511000    
 C    1.829200     -0.5653000     -0.1968000    
 C    4.116000     -0.5707000      0.1370000    
 C    3.896900      0.8191000      2.2299999E-02
 C    5.394300      -1.059800      0.3532000    
 C    4.938300       1.727300      0.1220000    
 C    6.450800     -0.1503000      0.4543000    
 C    6.224500       1.230600      0.3399000    
 H   -7.429800      8.5299999E-02   1.520200    
 H   -6.251500       1.364500       1.813400    
 H   -5.313800     -0.7448000       2.606600    
 H   -5.658800      -1.540900       1.072100    
 H   -6.803300     -4.7899999E-02 -0.8399000    
 H   -7.140700       1.636500     -0.4455000    
 H   -3.667100      0.7359000       1.544300    
 H   -3.313000     -0.9585000       1.230400    
 H   -5.089400       1.378800      -1.820000    
 H   -4.743300       2.145900     -0.2658000    
 H   -2.780100      0.6747000      -2.038400    
 H   -2.379100       1.422400     -0.4767000    
 H  -0.2973000      0.8075000     -0.5955000    
 H   0.3711000      -2.079900     -0.3168000    
 H    2.924400      -2.340100      6.8899997E-02
 H    5.580300      -2.125100      0.4437000    
 H    4.770900       2.795600      3.4600001E-02
 H    7.460300     -0.5153000      0.6239000    
 H    7.061300       1.919200      0.4222000    


%chk=000051030-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051030

0 1
S 2.291035 1.330773 -0.029277
O -2.014500 -1.837486 -1.107389
N -4.155813 0.149056 -0.423303
N -0.560300 -0.068980 -0.689354
N 3.003293 -1.230440 -0.190151
C -6.466481 0.478355 1.357649
C -5.254973 -0.399723 1.744511
C -6.604979 0.538359 -0.180583
C -3.972864 0.096502 1.046867
C -5.288782 1.014965 -0.827655
C -2.919278 0.476485 -1.144242
C -1.825860 -0.593474 -0.970895
C 0.580589 -0.894001 -0.579686
C 1.837200 -0.440759 -0.306720
C 4.202318 -0.566160 0.090431
C 4.043715 0.842530 0.218003
C 5.481276 -1.146309 0.247688
C 5.128142 1.683745 0.497064
C 6.579513 -0.299910 0.529983
C 6.413077 1.098911 0.654395
H -7.393603 0.084212 1.814935
H -6.320397 1.504984 1.754606
H -5.100901 -0.394287 2.840742
H -5.440695 -1.445680 1.434893
H -6.845066 -0.469651 -0.569600
H -7.426474 1.219572 -0.475155
H -3.698249 1.108173 1.454328
H -3.136048 -0.590579 1.268629
H -5.374302 0.982726 -1.930616
H -5.108491 2.086474 -0.537816
H -3.156445 0.532807 -2.225180
H -2.503241 1.482292 -0.852049
H -0.470549 0.941855 -0.560705
H 0.365372 -1.955441 -0.734064
H 2.952244 -2.240915 -0.309577
H 5.618897 -2.228666 0.152606
H 4.994325 2.765754 0.592433
H 7.574526 -0.740833 0.653222
H 7.273871 1.738566 0.872635


