%chk=000010548.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010548

1 1
 S   1.5500000E-02  0.8867000      0.9921000    
 P   -1.595500      0.5578000     -0.3105000    
 O   -2.978400      0.9187000      0.4652000    
 O   -1.766100      -1.026600     -0.6326000    
 O   -1.423500       1.364900      -1.571400    
 N    3.966000      7.8400001E-02  4.3600000E-02
 C    2.764100      0.5247000      0.8634000    
 C    4.010800      0.8629000      -1.259800    
 C    5.241600      0.3336000      0.8335000    
 C    3.847900      -1.407700     -0.2628000    
 C    1.484200      0.3547000      6.1400000E-02
 C   -4.210100      0.7223000     -0.2081000    
 C   -1.940200      -1.951500      0.4268000    
 C   -5.343900       1.125500      0.7104000    
 C   -2.072500      -3.344300     -0.1513000    
 H    2.750900     -7.5499997E-02   1.781400    
 H    2.926500       1.575600       1.133000    
 H    3.910500       1.928600      -1.033600    
 H    4.979200      0.6730000      -1.734200    
 H    3.221900      0.5195000      -1.933600    
 H    5.186900     -0.2306000       1.769200    
 H    6.095700     -3.0000001E-04  0.2368000    
 H    5.314500       1.406400       1.035600    
 H    3.671800      -1.946400      0.6728000    
 H    3.040100      -1.581700     -0.9772000    
 H    4.791300      -1.736100     -0.7110000    
 H    1.481100      0.9582000     -0.8485000    
 H    1.302300     -0.6862000     -0.2138000    
 H   -4.224700       1.334900      -1.114900    
 H   -4.315500     -0.3284000     -0.4934000    
 H   -1.074500      -1.913100       1.093900    
 H   -2.836100      -1.695600      0.9998000    
 H   -6.311500      0.9910000      0.2191000    
 H   -5.327100      0.5279000       1.627900    
 H   -5.242600       2.173500       1.011100    
 H   -2.205300      -4.085700      0.6414000    
 H   -2.927800      -3.398500     -0.8329000    
 H   -1.183400      -3.605800     -0.7345000    


%chk=000010548-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000010548

1 1
S 0.093106 -0.949322 1.918180
P -1.077694 -0.310756 -0.018443
O -2.540745 0.321510 0.597671
O -1.578520 -1.733447 -0.806468
O -0.149797 0.599292 -0.946642
N 3.456354 0.338938 -0.323232
C 2.351205 0.275186 0.771326
C 2.904240 -0.144888 -1.671815
C 3.863323 1.806008 -0.465917
C 4.670935 -0.488977 0.076659
C 1.755065 -1.122426 1.002209
C -2.626316 1.747512 1.083472
C -2.596171 -2.656585 -0.173739
C -4.085099 1.966962 1.460701
C -2.826025 -3.768107 -1.188171
H 2.801665 0.669314 1.698780
H 1.563590 0.958810 0.414483
H 1.884403 0.255052 -1.801063
H 3.576668 0.207680 -2.468927
H 2.875563 -1.244111 -1.682595
H 4.180486 2.192277 0.514947
H 4.694188 1.881393 -1.184138
H 2.998026 2.377685 -0.833812
H 5.091896 -0.087682 1.011584
H 4.365946 -1.535552 0.222153
H 5.422474 -0.434223 -0.726110
H 1.554534 -1.665183 0.065646
H 2.367469 -1.757992 1.661467
H -1.951877 1.859083 1.953326
H -2.298331 2.412234 0.264427
H -2.172392 -3.033393 0.776341
H -3.508317 -2.069923 0.028625
H -4.214212 3.000114 1.832456
H -4.743784 1.828651 0.587835
H -4.397420 1.271834 2.257396
H -3.571528 -4.478149 -0.785177
H -3.213619 -3.361385 -2.136475
H -1.895191 -4.322634 -1.392659


