%chk=000002635.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002635

0 1
 S  -0.3977000      -1.946800       2.422400    
 S   -3.935700      0.1174000     -0.7763000    
 S    4.259100       2.491800      -1.427100    
 O   0.9851000      -4.174100      -1.419500    
 O   -1.981200      -2.231900      -2.677800    
 O   -2.453500      -4.233100      -1.676400    
 O    3.462000      -1.317200       2.339400    
 N  -0.2169000      -2.594700     -0.1462000    
 N    2.921300      -2.190300      0.2587000    
 N   -3.634300       2.497300      0.5092000    
 N  -0.8440000       3.814300      -1.584500    
 N    5.070500       1.500500      0.8181000    
 N   -4.607600      0.9844000       1.720200    
 N   -3.887700       3.094100       1.682200    
 N   -4.483400       2.164200       2.418700    
 N    5.014100       3.862300      0.7236000    
 C   0.4960000      -1.824100      0.8564000    
 C    1.661400      -2.816600      0.6518000    
 C   0.8244000      -3.358700     -0.5419000    
 C   -1.534700      -2.429800     -0.4296000    
 C   -2.354800      -1.738700      0.3974000    
 C   -1.909500      -1.179300       1.746700    
 C   -3.807700      -1.442600      0.1134000    
 C   -2.044300      -3.090000      -1.640600    
 C    3.728400      -1.481600       1.151500    
 C    4.973200     -0.9288000      0.4811000    
 C    4.777200      0.4633000     -3.0700000E-02
 C   -4.080300       1.244700      0.5792000    
 C   -2.981300       3.222900     -0.5509000    
 C   -1.462800       3.088600     -0.4824000    
 C    4.327200      0.7844000      -1.281800    
 C    4.833300       2.627500      0.1842000    
 C   -1.330500       3.311900      -2.870800    
 C   0.6147000       3.708600      -1.517700    
 H   0.6996000     -0.7976000      0.5261000    
 H    1.807000      -3.573400       1.431900    
 H   -1.734800     -0.1019000       1.663900    
 H   -2.689000      -1.339400       2.498600    
 H    3.233000      -2.260700     -0.7072000    
 H   -4.237000      -2.217200     -0.5312000    
 H   -4.418600      -1.465000       1.021800    
 H    5.783100     -0.9439000       1.220600    
 H    5.290400      -1.592700     -0.3322000    
 H   -2.313500      -2.632600      -3.509300    
 H   -3.413100       2.849500      -1.482800    
 H   -3.281000       4.274900     -0.4618000    
 H   -1.114000       3.499200      0.4743000    
 H   -1.174800       2.028500     -0.4927000    
 H    4.041400      0.1332000      -2.095700    
 H   -2.354400       3.637900      -3.077000    
 H  -0.7360000       3.730300      -3.692600    
 H   -1.272000       2.219800      -2.945100    
 H   0.9870000       4.105400     -0.5666000    
 H    1.082500       4.303900      -2.309700    
 H   0.9535000       2.671100      -1.616600    
 H    4.817700       4.708500      0.1993000    
 H    5.351400       3.986800       1.672500    


%chk=000002635-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002635

0 1
S 0.031192 -1.452380 2.486781
S -3.105892 0.897455 -1.036620
S 7.057743 -0.937986 -1.710903
O 1.464819 -4.606679 -0.651587
O 0.160286 -2.894952 -2.685335
O -2.117606 -3.142522 -2.314197
O 4.128903 -3.486764 3.218998
N 0.602088 -2.383884 -0.071944
N 3.641269 -2.752953 1.064840
N -4.688739 2.735602 0.370733
N -3.842680 5.645532 -1.906837
N 6.284476 -0.576363 0.840230
N -4.099896 0.980973 1.614177
N -5.256905 2.932677 1.653252
N -4.897945 1.859711 2.379500
N 6.644082 1.479196 -0.333103
C 1.258765 -1.705953 1.074756
C 2.218994 -2.942606 1.208212
C 1.436658 -3.549972 -0.005642
C -0.676049 -2.113373 -0.597691
C -1.553925 -1.267726 0.060811
C -1.198018 -0.553186 1.355106
C -2.923114 -0.962239 -0.472197
C -0.990491 -2.770614 -1.907827
C 4.522174 -3.057951 2.097377
C 6.019660 -2.893665 1.770344
C 6.353312 -1.969078 0.626503
C -3.988781 1.552303 0.381257
C -4.865950 3.729762 -0.696944
C -3.654777 4.692686 -0.796912
C 6.734587 -2.364684 -0.644647
C 6.617214 0.108435 -0.244134
C -3.537956 5.069952 -3.233744
C -3.158405 6.937562 -1.690085
H 1.732080 -0.746804 0.813021
H 2.046685 -3.509643 2.141920
H -0.772254 0.443700 1.135366
H -2.107222 -0.385208 1.957874
H 4.027100 -2.416649 0.178460
H -3.197600 -1.544808 -1.360306
H -3.690357 -1.069301 0.311844
H 6.498981 -2.533724 2.696409
H 6.415786 -3.907102 1.574571
H -0.049125 -3.423054 -3.502311
H -5.021083 3.187592 -1.646529
H -5.775767 4.304854 -0.468616
H -3.586773 5.255451 0.151333
H -2.712044 4.095838 -0.896330
H 6.877971 -3.369911 -1.035032
H -4.132927 4.157191 -3.410136
H -3.805991 5.797030 -4.020195
H -2.457484 4.805599 -3.356741
H -3.485208 7.377860 -0.732047
H -3.435358 7.638848 -2.497274
H -2.042962 6.854609 -1.675238
H 6.947659 1.959251 -1.174635
H 6.415206 2.016567 0.500565


