%chk=000032714.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032714

0 1
 S    2.208700       1.619400     -4.7699999E-02
 O   -3.463200       2.175900      0.1145000    
 O   -3.918400      -2.490000     -5.8200002E-02
 N  -0.5148000       1.672200      2.1700000E-02
 N   -1.770000      -1.596500     -7.6499999E-02
 N   -3.715700     -0.1580000      2.9600000E-02
 N   0.3656000     -0.3734000     -8.1799999E-02
 N    5.556400     -0.6708000     -0.2227000    
 C   -1.567800      0.8030000      1.3000000E-02
 C   -1.001500     -0.4409000     -5.0500002E-02
 C   0.6277000      0.9165000     -3.6699999E-02
 C   -2.972200       1.051800      5.8699999E-02
 C   -3.183400      -1.496200     -3.7500001E-02
 C    3.253800      0.1372000     -0.1329000    
 C    4.726300      0.5280000     -0.1537000    
 C  -0.6053000       3.114700      8.1600003E-02
 C   -1.120300      -2.899600     -0.1440000    
 C   -5.168900     -3.3700000E-02  7.1999997E-02
 C    5.288600      -1.547400      0.9181000    
 C    6.974500     -0.3121000     -0.2669000    
 H    2.998200     -0.4554000      0.7494000    
 H    2.995600     -0.4364000      -1.030300    
 H    4.920500       1.151700      -1.036000    
 H    4.976600       1.125700      0.7335000    
 H   0.3561000       3.590300     -0.1111000    
 H   -1.312100       3.448600     -0.6828000    
 H  -0.9614000       3.390200       1.077700    
 H   -1.850800      -3.712400     -0.1571000    
 H  -0.4735000      -3.020100      0.7306000    
 H  -0.5191000      -2.950300      -1.057000    
 H   -5.505000       1.004200      0.1258000    
 H   -5.540800     -0.5793000      0.9451000    
 H   -5.585400     -0.5020000     -0.8256000    
 H    4.325500      -2.058800      0.8247000    
 H    5.329300      -1.016400       1.876200    
 H    6.028800      -2.356200      0.9583000    
 H    7.184100      0.3235000      -1.134600    
 H    7.595600      -1.207800     -0.3796000    
 H    7.295300      0.2197000      0.6363000    


%chk=000032714-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000032714

0 1
S 2.288472 2.391369 -0.969388
O -3.440325 1.939286 0.392408
O -3.005767 -2.759479 0.413816
N -0.389849 1.985078 -0.315323
N -1.079711 -1.505443 -0.063085
N -3.190034 -0.421876 0.393469
N 0.795335 0.035652 -0.539992
N 4.943759 -0.662235 0.084433
C -1.288832 0.923769 -0.080567
C -0.525784 -0.245396 -0.226905
C 0.837929 1.398919 -0.585087
C -2.688668 0.922659 0.243524
C -2.454510 -1.632394 0.256463
C 3.564583 0.984442 -1.111922
C 4.086001 0.529611 0.264979
C -0.701656 3.424123 -0.288567
C -0.253745 -2.716532 -0.223682
C -4.623555 -0.587354 0.727545
C 4.183073 -1.927889 0.038181
C 6.099451 -0.728429 0.998658
H 3.057604 0.167101 -1.645614
H 4.371810 1.396894 -1.737441
H 4.684166 1.342118 0.715683
H 3.223043 0.335607 0.943312
H -0.518894 3.874143 -1.280139
H -1.764044 3.536306 -0.023231
H -0.073780 3.936357 0.461201
H -0.895844 -3.584929 -0.016663
H 0.594685 -2.691989 0.481156
H 0.141155 -2.774633 -1.252315
H -5.060410 0.419371 0.798569
H -4.729765 -1.124403 1.684233
H -5.128759 -1.175136 -0.056134
H 3.326260 -1.831180 -0.649767
H 3.781276 -2.226385 1.039489
H 4.834020 -2.741933 -0.328537
H 6.689728 0.202146 0.928063
H 6.754831 -1.567795 0.702585
H 5.814351 -0.880643 2.070194


