%chk=000003132.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003132

0 1
 S   0.9911000       3.278400      0.9883000    
 O   0.6581000     -0.1449000       1.080100    
 O    4.054400      0.5096000      0.1848000    
 O    4.905500      -1.558200      0.5690000    
 N    1.838900     -0.3424000     -0.9058000    
 C   3.1599998E-02   1.281100     -0.7849000    
 C   -1.139600      0.6456000      -1.566500    
 C  -0.3903000       2.385500      0.2055000    
 C   -2.159800     -4.2100001E-02 -0.6924000    
 C   0.8600000      0.1965000     -8.3600000E-02
 C   -1.999700      -1.384800     -0.3881000    
 C   -3.239200      0.6811000     -0.2098000    
 C    2.741600      -1.382700     -0.4706000    
 C   -2.942900      -2.020600      0.4193000    
 C   -4.182400      4.5499999E-02  0.5978000    
 C   -4.034200      -1.305400      0.9122000    
 C    4.006800     -0.8423000      0.1446000    
 H   0.6783000       1.757900      -1.535800    
 H   -1.638400       1.419700      -2.164600    
 H  -0.7496000     -7.7500001E-02  -2.295500    
 H  -0.9884000       1.970000       1.022500    
 H   -1.006900       3.128100     -0.3118000    
 H   -1.156500      -1.953400     -0.7695000    
 H   -3.366400       1.732600     -0.4505000    
 H    1.941700      4.9000001E-03  -1.854700    
 H    3.006300      -1.971200      -1.353500    
 H    2.236800      -2.013700      0.2668000    
 H   -2.828000      -3.072600      0.6636000    
 H   -5.032500      0.6022000      0.9811000    
 H    1.526400       3.756000     -0.1448000    
 H   -4.768800      -1.800400       1.540700    
 H    4.885900      0.8360000      0.5900000    


%chk=000003132-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003132

0 1
S 0.790519 2.797451 1.832926
O 0.769919 -0.914807 0.984173
O 4.646966 0.361591 -1.619438
O 5.671981 -1.486360 -0.645775
N 2.312335 -0.008121 -0.474538
C 0.090280 1.063039 -0.349556
C -1.030284 0.478481 -1.295851
C -0.504675 1.803329 0.863519
C -2.319102 -0.028472 -0.647827
C 1.069398 -0.027652 0.123393
C -2.327937 -1.080881 0.306899
C -3.559094 0.543355 -1.035216
C 3.330960 -0.985473 -0.090843
C -3.546504 -1.543830 0.851000
C -4.779700 0.079062 -0.492911
C -4.777172 -0.969760 0.453967
C 4.663031 -0.768880 -0.782873
H 0.660779 1.790475 -0.962687
H -1.300667 1.281846 -2.007088
H -0.573373 -0.329476 -1.901416
H -0.902149 1.083414 1.595223
H -1.315668 2.484609 0.560272
H -1.378269 -1.515861 0.636175
H -3.570529 1.356597 -1.772691
H 2.589824 0.737874 -1.114809
H 2.993766 -2.017134 -0.309285
H 3.501601 -0.962888 1.003925
H -3.534269 -2.355065 1.588035
H -5.725653 0.534252 -0.808170
H 0.976506 3.775171 0.865777
H -5.719997 -1.333993 0.877650
H 5.536979 0.476607 -2.048061


