%chk=000002640.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002640

1 1
 S  -0.6206000      -2.108700      -2.349100    
 S    4.707900       3.603800     -0.6234000    
 O   0.6698000      -2.959600       2.035400    
 O   -2.681400      -3.535000       1.862600    
 O   -2.657700      -1.396500       2.673100    
 O    3.285900      -1.053300      -2.243300    
 O    6.701700      4.2800002E-02  0.2447000    
 N  -0.5773000      -1.960300      0.3014000    
 N    2.588100      -1.420700     -3.2400001E-02
 N   -4.568200     -8.3999997E-03 -0.8622000    
 N   -4.968400       2.108900     -0.8235000    
 N   -5.121800       3.451900     -0.2649000    
 N    5.711400     -0.8209000     -0.2437000    
 N    4.157500       1.707500      0.9646000    
 N    4.890000       2.064000      -1.253400    
 N    3.879600       3.874600       1.912400    
 C   0.1321000      -1.434600     -0.8507000    
 C    1.370200      -2.181900     -0.3085000    
 C   0.5001000      -2.449900      0.9525000    
 C   -1.922700      -1.873600      0.4634000    
 C   -2.739900      -1.552100     -0.5676000    
 C   -2.248800      -1.361600      -2.001000    
 C   -4.232400      -1.356700     -0.4496000    
 C   -2.457400      -2.208000       1.791800    
 C    3.412600     -0.9399000      -1.034700    
 C   -4.626900       1.062700     -7.6899998E-02
 C   -4.884700      0.3810000      -2.151800    
 C   -5.139200       1.731200      -2.123400    
 C    4.607000     -0.1891000     -0.5052000    
 C   -4.373400       1.207700       1.422300    
 C   -4.525000       2.490700       1.927700    
 C    4.554200       1.256800     -0.2665000    
 C   -4.886200       3.531200       1.069800    
 C    4.196400       3.020600      0.9074000    
 C    7.867400     -0.7244000      0.5030000    
 H   0.2160000     -0.3410000     -0.8296000    
 H    1.616900      -3.120200     -0.8237000    
 H   -2.181100     -0.2946000      -2.235300    
 H   -2.945000      -1.831100      -2.703100    
 H    2.856500      -1.230300      0.9305000    
 H   -4.758200      -2.072000      -1.093400    
 H   -4.613700      -1.518700      0.5627000    
 H   -4.898600     -0.3648000      -2.923700    
 H   -5.420800       2.472600      -2.844500    
 H   -4.122800      0.3716000       2.052900    
 H   -3.040600      -3.802600       2.735400    
 H   -4.370800       2.684200       2.984300    
 H   -5.004400       4.533200       1.475700    
 H    7.660100      -1.489400       1.257700    
 H    8.644100     -5.6499999E-02  0.8845000    
 H    8.227500      -1.191800     -0.4188000    
 H    3.575500       3.541600       2.821300    
 H    3.932800       4.881200       1.796000    


%chk=000002640-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002640

1 1
S -0.256100 -2.249873 -1.583291
S 6.804725 1.949647 2.546946
O 0.685534 -0.723306 2.986499
O -1.924400 -1.946384 3.057704
O -3.578535 -0.402950 2.544022
O 3.446012 -1.855670 -1.275008
O 7.041204 0.141135 -1.451887
N -0.515766 -0.897085 0.846087
N 2.790293 -0.621818 0.567202
N -4.893475 -0.420018 -1.074575
N -5.908381 1.473319 -1.676514
N -6.425745 2.754661 -1.646222
N 5.772161 -0.476025 -1.440075
N 4.544768 0.772378 1.886489
N 6.722901 1.081404 0.943336
N 4.398794 1.812870 4.026711
C 0.380267 -0.995219 -0.351592
C 1.558569 -1.356865 0.627371
C 0.591500 -0.977795 1.779318
C -1.902183 -1.022909 0.863067
C -2.620483 -1.194921 -0.310304
C -1.927191 -1.312261 -1.655415
C -4.115911 -1.455301 -0.304850
C -2.558774 -1.066356 2.217766
C 3.722521 -0.984469 -0.396427
C -5.219964 0.842439 -0.625509
C -5.374452 -0.567480 -2.383616
C -6.007431 0.604632 -2.767093
C 5.064455 -0.255551 -0.333222
C -5.020425 1.534464 0.593997
C -5.534201 2.832863 0.654187
C 5.473781 0.556321 0.844558
C -6.217667 3.393957 -0.476973
C 5.068159 1.481950 2.886827
C 7.714029 -0.176340 -2.740268
H 0.517685 -0.022208 -0.849977
H 1.726699 -2.453157 0.588078
H -1.703514 -0.327414 -2.104761
H -2.541583 -1.879462 -2.374932
H 3.127309 0.012870 1.337323
H -4.339886 -2.418001 -0.800154
H -4.536153 -1.491729 0.711381
H -5.244299 -1.490041 -2.942634
H -6.508855 0.891213 -3.685518
H -4.497598 1.050135 1.427652
H -2.289831 -1.908925 3.983643
H -5.426188 3.432696 1.560515
H -6.625996 4.407624 -0.450784
H 7.828453 -1.267300 -2.842953
H 8.692270 0.320067 -2.660435
H 7.128923 0.230964 -3.580823
H 3.451964 1.459789 4.163826
H 4.835313 2.351037 4.770509


