%chk=000093230.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093230

0 1
 S   0.2778000      -1.701300       1.152300    
 S  -0.6237000      -2.396800     -0.5635000    
 S    2.713900      -3.424300       1.083900    
 S   9.8899998E-02 -0.8886000      -3.025900    
 N    2.639600     -0.8452000      0.1244000    
 N   -1.477100      0.1531000      -1.022700    
 C    3.779700      -1.085700     -0.7737000    
 C   -1.143400       1.542100      -1.373400    
 C    2.304300      0.5376000      0.3906000    
 C   -2.631800     -3.1599998E-02 -0.1710000    
 C    5.047800     -0.4492000     -0.2435000    
 C   -2.265300       2.204200      -2.146200    
 C    1.838600      0.8599000       1.637600    
 C   -3.391100      -1.158200     -0.3476000    
 C    2.471800       1.448200     -0.6187000    
 C   -2.903600      0.9294000      0.7667000    
 C    1.997900      -1.930000      0.7563000    
 C  -0.7319000     -0.9207000      -1.556700    
 C    1.515800       2.192400       1.894400    
 C   -4.504300      -1.336700      0.4737000    
 C    2.149000       2.780600     -0.3616000    
 C   -4.016800      0.7507000       1.588100    
 C    1.671000       3.152600      0.8950000    
 C   -4.817000     -0.3824000       1.441600    
 H    3.956000      -2.154300     -0.9202000    
 H    3.541300     -0.7176000      -1.776800    
 H  -0.8904000       2.108500     -0.4736000    
 H  -0.2376000       1.583000      -1.982800    
 H    5.009300      0.6430000     -0.2229000    
 H    5.265700     -0.7946000      0.7729000    
 H    5.895300     -0.7272000     -0.8791000    
 H   -2.523300       1.625000      -3.039400    
 H   -3.177500       2.329200      -1.556800    
 H   -1.953300       3.201700      -2.473100    
 H    1.785300      0.1605000       2.464700    
 H   -3.233500      -1.877000      -1.144200    
 H    2.812700       1.201100      -1.616300    
 H   -2.297500       1.809200      0.9416000    
 H    1.161000       2.485700       2.878100    
 H   -5.139100      -2.208900      0.3468000    
 H    2.263000       3.527800      -1.141600    
 H   -4.257500       1.490400       2.346200    
 H    1.421400       4.190300       1.095400    
 H   -5.685400     -0.5199000       2.079100    


%chk=000093230-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093230

0 1
S 0.193913 -1.949879 -0.279275
S -0.047480 -0.517684 -2.293216
S 1.938642 -3.409876 1.491447
S -0.858501 1.931729 -3.606881
N 2.832179 -1.086526 0.313734
N -1.937419 1.260647 -1.164141
C 4.192131 -1.337032 0.893220
C -2.671466 2.568106 -1.158192
C 2.610695 0.238575 -0.239878
C -2.361297 0.292682 -0.165832
C 4.337118 -0.772853 2.319629
C -4.036346 2.478222 -1.867497
C 1.747653 1.137444 0.429014
C -3.035335 -0.884020 -0.570373
C 3.307182 0.640350 -1.402031
C -2.165094 0.569671 1.206861
C 1.838811 -2.003610 0.499113
C -1.087972 0.969532 -2.194688
C 1.572974 2.441934 -0.082102
C -3.490643 -1.795959 0.406826
C 3.128361 1.946538 -1.904815
C -2.631146 -0.342279 2.177495
C 2.261752 2.849628 -1.247295
C -3.291625 -1.528234 1.780585
H 4.355888 -2.428653 0.891463
H 4.922707 -0.866817 0.212103
H -2.801864 2.861368 -0.101871
H -2.025671 3.310574 -1.658395
H 4.156124 0.316428 2.338418
H 3.627060 -1.268232 3.003304
H 5.361677 -0.957635 2.690148
H -3.901600 2.222327 -2.932042
H -4.682298 1.718070 -1.393779
H -4.552330 3.453663 -1.807639
H 1.221695 0.808676 1.331501
H -3.189653 -1.080862 -1.635993
H 3.953944 -0.073650 -1.923157
H -1.634013 1.480030 1.507406
H 0.903737 3.141555 0.431657
H -4.000815 -2.713154 0.094034
H 3.647925 2.251707 -2.818891
H -2.467622 -0.134649 3.240498
H 2.116569 3.858269 -1.647526
H -3.642547 -2.240119 2.535153


