%chk=000002627.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002627

0 1
 S   0.1806000      0.5011000       2.122000    
 S   -4.392700      5.9900001E-02  0.7191000    
 S    6.077100     -0.4623000      0.1575000    
 O    1.751700       2.999300       1.366000    
 O   0.6069000       3.206800      -1.635100    
 O   -1.302000       1.025000      -2.923100    
 O    4.165500       1.358700       1.805900    
 O   -3.040800       1.861000      -1.695200    
 O    5.268400      -3.520800       1.477200    
 O    3.322900      -3.847500      0.3574000    
 N   3.7000000E-03   1.285800     -0.4082000    
 N    3.123800       1.760500     -0.2285000    
 N   -7.063400     -0.6613000      0.6692000    
 N   -5.788900      -2.070300     -0.3765000    
 N    4.647400      -3.554200      -2.032400    
 N   -7.890300      -1.610800      0.2097000    
 N   -7.105400      -2.469600     -0.4294000    
 C    1.782000       2.015800      0.3124000    
 C   0.9717000      0.7160000      0.5113000    
 C   0.7501000       2.339300     -0.8055000    
 C   -1.222700      0.7511000     -0.6402000    
 C   -1.752100     -0.1866000      0.1812000    
 C   -1.081300     -0.6467000       1.473500    
 C   -3.069500     -0.8863000     -5.2700002E-02
 C    4.210600       1.450300      0.5801000    
 C   -1.976600       1.282900      -1.785300    
 C    2.043400       4.329900      0.9669000    
 C    5.484400       1.209700     -0.1939000    
 C   -5.786100     -0.9493000      0.3075000    
 C    4.983400      -1.375600     -0.9561000    
 C    5.188200      -2.887700     -0.8461000    
 C    4.490600      -3.475500      0.3663000    
 C   -7.580500      0.4513000       1.425000    
 H    1.446700     -0.1913000      0.1174000    
 H    3.273900       1.807000      -1.233500    
 H  -0.6181000      -1.626300       1.311600    
 H   -1.824500     -0.7591000       2.269400    
 H   -3.038300      -1.904100      0.3529000    
 H   -3.267700     -0.9852000      -1.125800    
 H    2.275200       4.910900       1.863900    
 H    1.170500       4.779500      0.4863000    
 H    2.907300       4.372300      0.2974000    
 H    5.360900       1.357900      -1.270300    
 H    6.228000       1.932700      0.1563000    
 H   -1.771100       1.363900      -3.715300    
 H    3.941400      -1.118600     -0.7359000    
 H    5.208400      -1.037200      -1.974100    
 H    6.253400      -3.144400     -0.7978000    
 H    4.861600      -4.550400      -1.992700    
 H    5.112100      -3.198900      -2.867300    
 H   -8.664900      0.3534000       1.523700    
 H   -7.341500       1.374800      0.8920000    
 H   -7.118900      0.4436000       2.415300    
 H    4.785400      -3.889700       2.247300    


%chk=000002627-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002627

0 1
S -0.330699 0.173355 1.923284
S -4.691302 0.022603 -0.633362
S 6.426151 -0.552375 0.048598
O 1.457627 2.530911 1.777016
O 0.540259 3.432627 -1.262226
O -0.602675 1.593315 -3.256559
O 3.647056 0.157292 1.630067
O -2.844304 1.110571 -2.885517
O 4.040152 -2.459857 1.294623
O 2.716300 -1.853623 -0.526288
N 0.031487 1.107104 -0.662269
N 3.026825 1.762213 0.076635
N -6.386383 -0.509336 1.526045
N -4.515667 -1.716632 1.610066
N 4.483186 -3.578460 -2.140073
N -6.465738 -1.307635 2.695823
N -5.331681 -2.025421 2.721833
C 1.633471 1.859976 0.520508
C 0.813757 0.528968 0.474324
C 0.685762 2.359817 -0.646758
C -1.174175 0.586347 -1.170329
C -1.856088 -0.403678 -0.480122
C -1.377265 -0.979355 0.841668
C -3.110430 -1.032831 -1.022963
C 3.951803 0.900837 0.653355
C -1.654026 1.112242 -2.479013
C 1.886599 3.945088 1.793216
C 5.356056 0.999605 0.029763
C -5.197214 -0.778494 0.891079
C 5.712971 -1.604292 -1.369599
C 4.911220 -2.872468 -0.927222
C 3.758615 -2.378557 -0.045748
C -7.463402 0.414000 1.167781
H 1.374247 -0.377268 0.200786
H 3.302236 2.332516 -0.727174
H -0.783427 -1.895141 0.655673
H -2.249189 -1.274608 1.453394
H -3.305861 -2.013061 -0.562198
H -3.143975 -1.093815 -2.118813
H 1.643336 4.298683 2.805489
H 1.336034 4.535509 1.038349
H 2.976772 4.030600 1.622047
H 5.312287 1.392657 -1.001758
H 5.948178 1.709973 0.636323
H -0.966519 2.012497 -4.082133
H 5.072888 -0.957568 -1.995664
H 6.574972 -1.938584 -1.967146
H 5.568569 -3.521370 -0.326312
H 3.674285 -3.141640 -2.595733
H 4.372957 -4.589555 -2.028049
H -8.276360 0.275562 1.894909
H -7.835094 0.194723 0.152257
H -7.110584 1.458744 1.207178
H 3.615896 -1.692015 1.791738


