%chk=000002672.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002672

-1 1
 S   0.3904000      -1.666800      -1.946900    
 S   -5.248300      0.4717000     -0.7040000    
 O   -1.316900     -0.7529000       2.281300    
 O    4.672200     -0.2757000     -0.5488000    
 O    1.031800       1.721800       1.739500    
 O    2.302400      0.1365000       2.791000    
 O   -4.012900      -1.798800       1.029500    
 O    6.050300       1.578300     -0.5825000    
 N   0.3395000      -1.152200      0.6544000    
 N   -2.362300      -1.876300     -0.6011000    
 N   -1.406700       2.954000     -0.3675000    
 C   0.1711000      -2.267500     -0.2568000    
 C   -1.281800      -2.346400      0.2646000    
 C  -0.8266000      -1.294500       1.318500    
 C    1.419100     -0.3297000      0.6668000    
 C    2.295100     -0.3112000     -0.3640000    
 C    2.105500      -1.117000      -1.646900    
 C    3.534300      0.5509000     -0.4266000    
 C    1.603600      0.6067000       1.855800    
 C   -3.654400      -1.639700     -0.1364000    
 C   -4.599500      -1.140900      -1.202900    
 C    5.882500      0.3668000     -0.6179000    
 C   -3.747900       1.440400     -0.5725000    
 C    6.993400     -0.6310000     -0.7444000    
 C   -2.927800       1.611500      -1.682300    
 C   -3.398700       2.025500      0.6397000    
 C   -1.778900       2.370500      -1.528900    
 C   -2.228600       2.765900      0.6893000    
 H   0.7868000      -3.134200      1.1100000E-02
 H   -1.524400      -3.318200      0.7106000    
 H    2.759400      -1.995700      -1.627900    
 H    2.384600     -0.5111000      -2.515400    
 H   -2.171800      -1.710000      -1.586300    
 H    3.465200       1.220400      -1.293200    
 H    3.643900       1.177400      0.4645000    
 H   -5.426100      -1.853200      -1.286700    
 H   -4.119200      -1.073400      -2.182900    
 H    6.862300      -1.216500      -1.657800    
 H    7.950200     -0.1040000     -0.8021000    
 H    7.006500      -1.282900      0.1326000    
 H   -3.163500       1.178100      -2.648600    
 H   -4.010300       1.914300       1.529000    
 H   -1.105200       2.533500      -2.363700    
 H   -1.910800       3.241200       1.611400    


%chk=000002672-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002672

-1 1
S 0.669218 -1.545122 -1.799310
S -5.170603 0.136611 -0.382853
O -1.369288 -0.841316 2.549166
O 5.016291 -0.101220 0.131758
O 0.447350 1.611777 1.929634
O 2.454653 0.958469 2.949991
O -3.854160 -3.324673 -0.300629
O 5.402830 0.267725 -2.150203
N 0.492179 -1.184638 0.977645
N -2.236003 -1.650453 -0.516970
N -1.890296 3.459390 -0.947160
C 0.235227 -2.198774 -0.092493
C -1.257693 -2.261893 0.367606
C -0.806026 -1.302533 1.543596
C 1.577321 -0.291684 1.054622
C 2.535843 -0.326369 0.057048
C 2.465079 -1.213234 -1.172207
C 3.678662 0.646995 0.088814
C 1.486414 0.857137 2.107493
C -3.499845 -2.179786 -0.719303
C -4.453122 -1.262141 -1.483527
C 5.761823 -0.179512 -1.029529
C -3.858069 1.430749 -0.602128
C 7.090036 -0.864960 -0.752954
C -3.942273 2.335117 -1.688781
C -2.789803 1.557875 0.313852
C -2.944004 3.329690 -1.809206
C -1.817595 2.573763 0.095899
H 0.804961 -3.129177 0.066844
H -1.637765 -3.250527 0.666696
H 2.897105 -2.218887 -1.014807
H 2.990567 -0.743823 -2.021067
H -2.026646 -0.708933 -0.863200
H 3.715727 1.293947 -0.806644
H 3.681089 1.222894 1.025200
H -5.326323 -1.848948 -1.804308
H -3.979068 -0.778573 -2.354435
H 6.947387 -1.721785 -0.074734
H 7.546316 -1.189941 -1.700227
H 7.771359 -0.153858 -0.251227
H -4.763742 2.272535 -2.409726
H -2.686391 0.900352 1.182521
H -2.982444 4.056147 -2.630741
H -0.948782 2.627190 0.764585


