%chk=000052865.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052865

0 1
 S    2.040700      -1.197800      -1.171900    
 O   -5.162700     -0.7081000      0.7977000    
 O   -4.748600       1.814400     -0.2587000    
 N    6.781100      0.4266000      0.2797000    
 N  -0.4705000      -1.570600     -0.2841000    
 N  -0.1307000      0.4545000      -1.134600    
 C    4.526200     -0.2948000     -0.3615000    
 C    5.358600      0.6972000      0.4517000    
 C    3.035000     -6.3000000E-03 -0.2054000    
 C   -1.670900     -0.9182000     -0.1670000    
 C   -1.433000      0.3435000     -0.7047000    
 C   0.4171000     -0.7098000     -0.8675000    
 C   -2.906800      -1.311500      0.3476000    
 C   -2.478600       1.281400     -0.7394000    
 C    7.112100     -0.9160000      0.7603000    
 C    7.585100       1.429200      0.9807000    
 C   -3.936200     -0.3654000      0.3052000    
 C   -3.728200      0.9085000     -0.2283000    
 C   -5.300900      -2.024100       1.326000    
 C   -4.888800       2.667200      0.8743000    
 H    4.812300     -0.2374000      -1.419800    
 H    4.695900      -1.323100     -2.4599999E-02
 H    5.068700      0.6538000       1.509900    
 H    5.132400       1.710600      9.6199997E-02
 H    2.805400       1.005700     -0.5554000    
 H    2.740000     -7.8900002E-02  0.8470000    
 H  -0.2754000      -2.518600      8.5000005E-03
 H   -2.998600      -2.313300      0.7456000    
 H   -2.319700       2.272100      -1.154100    
 H    6.741100      -1.102200       1.774700    
 H    8.199900      -1.057600      0.7747000    
 H    6.738500      -1.695100      8.9100003E-02
 H    7.363600       2.433600      0.6028000    
 H    8.653100       1.258900      0.8052000    
 H    7.406300       1.419900       2.062100    
 H   -5.150000      -2.787900      0.5554000    
 H   -6.335100      -2.125000       1.671900    
 H   -4.659100      -2.179200       2.200000    
 H   -5.747200       3.323100      0.7057000    
 H   -3.995200       3.286700       1.001300    
 H   -5.070200       2.080000       1.780100    


%chk=000052865-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052865

0 1
S 2.145525 -1.899823 -0.044414
O -5.391407 -0.270974 0.192885
O -4.255043 2.269920 0.412009
N 6.975692 0.348063 0.003022
N -0.648744 -1.961961 -0.008080
N 0.226052 0.141964 0.195502
C 4.661504 -0.659199 0.058568
C 5.524600 0.621834 0.133580
C 3.169223 -0.298001 0.035431
C -1.755746 -1.099802 0.101482
C -1.189604 0.209016 0.227798
C 0.502754 -1.161144 0.055403
C -3.145105 -1.332654 0.094731
C -2.042672 1.325197 0.366548
C 7.534005 -0.405045 1.145071
C 7.743792 1.583340 -0.260088
C -3.985617 -0.201560 0.219118
C -3.434703 1.122809 0.364513
C -5.995855 -1.579375 -0.055980
C -5.193828 2.359942 1.548790
H 4.945499 -1.214439 -0.854838
H 4.868883 -1.314527 0.925305
H 5.289383 1.171102 1.084807
H 5.237726 1.290426 -0.701434
H 2.889093 0.301233 -0.845487
H 2.842054 0.237221 0.940937
H -0.669168 -2.973768 -0.118865
H -3.558059 -2.339072 -0.013232
H -1.651204 2.340687 0.464632
H 7.426875 0.134612 2.121725
H 8.609549 -0.587107 0.971843
H 7.041027 -1.387057 1.239526
H 7.355996 2.076678 -1.169144
H 8.804460 1.329246 -0.436084
H 7.702224 2.323237 0.580270
H -5.663200 -1.995061 -1.027214
H -7.079982 -1.395370 -0.083441
H -5.760291 -2.295955 0.755832
H -5.694395 3.333337 1.430282
H -4.641686 2.336459 2.509134
H -5.932908 1.541571 1.515957


