%chk=000007926.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000007926

0 1
 S    1.241900      0.2559000      -2.473900    
 P    1.210800      7.9000004E-02 -0.5327000    
 O   7.5099997E-02 -0.8954000      9.2600003E-02
 O   0.9994000       1.439300      0.3341000    
 O    2.557900     -0.5241000      0.1543000    
 N   -3.250800      -1.199900      0.5799000    
 N   -2.001100      -1.677200      0.7095000    
 C   -1.269200     -0.7289000      0.1353000    
 C   -3.317100      6.8000001E-03 -5.2600000E-02
 C   -2.020600      0.3424000     -0.3576000    
 C    1.822100       2.566800      8.6400002E-02
 C    2.923400      -1.874400     -7.6499999E-02
 C   -4.594600      0.6967000     -0.2936000    
 C    1.418700       3.686500       1.021900    
 C    4.204000      -2.173700      0.6730000    
 H   -1.686100       1.237400     -0.8613000    
 H    2.869100       2.293200      0.2498000    
 H    1.698100       2.895900     -0.9491000    
 H    2.123300      -2.534100      0.2725000    
 H    3.072000      -2.036200      -1.148200    
 H   -4.014900      -1.753200      0.9477000    
 H   -5.105600      0.9083000      0.6512000    
 H   -4.437300       1.648600     -0.8111000    
 H   -5.256200      8.2699999E-02 -0.9130000    
 H    2.035100       4.574700      0.8574000    
 H   0.3671000       3.953200      0.8731000    
 H    1.522400       3.372500       2.065800    
 H    4.515200      -3.210300      0.5168000    
 H    5.008900      -1.509200      0.3417000    
 H    4.071500      -2.002200       1.746400    


%chk=000007926-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000007926

0 1
S 1.092650 0.063626 -2.335712
P 1.236193 0.104002 -0.279493
O -0.009430 -0.685028 0.677521
O 1.234659 1.638093 0.502863
O 2.615559 -0.615987 0.454468
N -3.249649 -1.366175 -0.396514
N -1.927044 -1.760937 -0.235991
C -1.351626 -0.646233 0.297898
C -3.502154 -0.058849 0.004144
C -2.270930 0.434877 0.465726
C 2.036093 2.747880 -0.100770
C 2.947483 -2.027160 0.073961
C -4.862440 0.572295 -0.088446
C 1.647051 4.009795 0.662545
C 4.265208 -2.351002 0.769536
H -2.056540 1.420524 0.869189
H 3.109000 2.508199 0.019006
H 1.794351 2.820194 -1.178586
H 2.124308 -2.680357 0.416986
H 3.029842 -2.087935 -1.028315
H -3.906620 -2.039217 -0.785501
H -5.619234 0.008504 0.488758
H -4.828276 1.595706 0.317274
H -5.214949 0.639359 -1.134959
H 2.222328 4.871357 0.275849
H 0.571533 4.223378 0.541338
H 1.864649 3.897834 1.737977
H 4.562794 -3.390213 0.536816
H 5.065540 -1.672404 0.428963
H 4.162148 -2.253024 1.863269


