%chk=000178430.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178430

0 1
 S   0.2300000       2.013000      0.5768000    
 O   -1.130300      -2.113300     -0.2963000    
 O    1.425700      -3.260000       1.262000    
 N   -1.628200      6.7199998E-02  6.5300003E-02
 N    1.495900      -1.689600     -0.4544000    
 N   -2.449900       2.124900      0.4566000    
 C   0.7453000     -0.6428000      0.2066000    
 C    1.175900      0.7348000     -0.3127000    
 C  -0.7092000     -0.9875000     -6.6299997E-02
 C   -1.367600       1.391400      0.3588000    
 C    2.663500       1.017100     -0.1919000    
 C   -3.014600     -1.7100001E-02 -6.6500001E-02
 C   -3.483400       1.271900      0.1894000    
 C    3.288100       1.855500      -1.113000    
 C    3.399000      0.4370000      0.8397000    
 C   -3.893400      -1.068200     -0.3713000    
 C   -4.863400       1.538900      0.1472000    
 C    1.769500      -2.909500      0.1362000    
 C   -5.263600     -0.7859000     -0.4107000    
 C    4.654100       2.115000      -1.002200    
 C    4.765000      0.6967000      0.9505000    
 C   -5.743300      0.4965000     -0.1554000    
 C    5.392500       1.535700      2.9600000E-02
 C    2.542500      -3.821700     -0.7781000    
 H   0.8817000     -0.7422000       1.291300    
 H   0.9042000      0.8058000      -1.375400    
 H    1.764900      -1.544200      -1.423700    
 H    2.724300       2.313700      -1.921100    
 H    2.947400     -0.2017000       1.591000    
 H   -3.545700      -2.074600     -0.5738000    
 H   -5.243200       2.536700      0.3441000    
 H   -5.964900      -1.583000     -0.6446000    
 H    5.142700       2.768600      -1.718900    
 H    5.339500      0.2501000       1.756900    
 H   -6.812000      0.6896000     -0.1920000    
 H    6.455900       1.738800      0.1167000    
 H    2.940500      -4.664500     -0.2062000    
 H    1.879500      -4.198400      -1.561700    
 H    3.378500      -3.284000      -1.234700    


%chk=000178430-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178430

0 1
S 0.260858 1.881316 0.899187
O -1.227395 -1.980056 -1.022440
O 2.354049 -2.501315 1.433752
N -1.723568 0.065914 -0.033737
N 1.440683 -1.829725 -0.597152
N -2.503210 2.056737 0.840199
C 0.648900 -0.767617 0.012748
C 1.147677 0.669758 -0.330161
C -0.830364 -0.959519 -0.400267
C -1.421200 1.340283 0.572244
C 2.635265 0.920113 -0.209658
C -3.150095 0.027348 -0.153868
C -3.604494 1.258701 0.414950
C 3.284140 1.681287 -1.215782
C 3.388278 0.456572 0.900443
C -4.032494 -0.936243 -0.672708
C -4.980604 1.549231 0.480175
C 2.212889 -2.684181 0.186057
C -5.413077 -0.630592 -0.598892
C 4.663007 1.970755 -1.123014
C 4.766318 0.747199 0.992228
C -5.879589 0.587317 -0.034470
C 5.408171 1.504420 -0.015765
C 2.889659 -3.824872 -0.558114
H 0.732962 -0.913639 1.111507
H 0.796224 0.970467 -1.333715
H 1.202014 -2.112761 -1.549891
H 2.706742 2.050592 -2.072521
H 2.911994 -0.149501 1.678116
H -3.668214 -1.868184 -1.107791
H -5.326599 2.490440 0.916324
H -6.137996 -1.353228 -0.988642
H 5.151679 2.558496 -1.907723
H 5.338660 0.379624 1.850683
H -6.956570 0.783095 0.001316
H 6.477756 1.729258 0.061350
H 2.697053 -4.767814 -0.020179
H 2.552206 -3.928316 -1.603299
H 3.981686 -3.660660 -0.553692


