%chk=000058295.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058295

0 1
 S    1.399000       1.841300       1.452300    
 N   0.8384000     -0.2453000     -0.7828000    
 N   -1.943600      -2.166000      0.1606000    
 N   -3.880100     -0.8958000      0.8063000    
 C   0.4065000      -1.448200      -1.506200    
 C  -7.7799998E-02  0.8342000     -0.7056000    
 C    2.162200     -0.2285000     -0.2754000    
 C   0.3427000      -2.651500     -0.5666000    
 C   8.3499998E-02   1.856300      0.2508000    
 C    2.545500      0.6885000      0.7232000    
 C  -0.5872000      -2.456400      0.6285000    
 C   -1.165700      0.9570000      -1.597400    
 C    3.162300      -1.096200     -0.7664000    
 C  -0.8235000       2.928800      0.3180000    
 C    3.862200      0.7066000       1.216900    
 C   -2.061300       2.027700      -1.529400    
 C    4.470600      -1.070700     -0.2758000    
 C   -1.891800       3.013000     -0.5688000    
 C    4.820200     -0.1703000      0.7191000    
 C   -2.589100      -1.373000      0.9458000    
 C   -4.461800     -6.9999998E-04   1.796500    
 C   -4.611200      -1.050800     -0.4436000    
 H    1.062000      -1.650500      -2.361500    
 H  -0.5839000      -1.388200      -1.957900    
 H  -8.9999996E-03  -3.513600      -1.148900    
 H    1.331700      -2.932500     -0.1918000    
 H  -0.6099000      -3.385900       1.209800    
 H  -0.1833000      -1.677800       1.287300    
 H   -1.337800      0.2702000      -2.419000    
 H    2.965700      -1.811600      -1.559600    
 H  -0.7063000       3.712500       1.063700    
 H    4.156000       1.406800       1.996400    
 H   -2.882200       2.093700      -2.237600    
 H    5.213500      -1.753500     -0.6777000    
 H   -2.584500       3.846900     -0.5119000    
 H    5.834800     -0.1470000       1.104500    
 H   -2.131200      -1.001500       1.880800    
 H   -5.555200     -5.9000000E-02   1.794100    
 H   -4.167700       1.032500       1.585800    
 H   -4.124800     -0.2595000       2.805900    
 H   -4.420600      -2.030900     -0.8931000    
 H   -4.308900     -0.2764000      -1.155100    
 H   -5.692100     -0.9722000     -0.2868000    


%chk=000058295-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058295

0 1
S 0.936278 1.360744 1.882357
N 0.634736 -0.257997 -0.695656
N -1.920774 -2.442114 0.365996
N -3.725178 -0.975345 0.859932
C 0.174828 -1.418750 -1.499827
C -0.141701 0.939639 -0.684157
C 1.968817 -0.239835 -0.189048
C 0.282013 -2.764440 -0.745711
C -0.068290 1.837192 0.418995
C 2.292654 0.519042 0.970323
C -0.497316 -2.756991 0.592555
C -0.996541 1.288897 -1.766091
C 3.017989 -0.953819 -0.829842
C -0.810345 3.034081 0.442747
C 3.610168 0.579733 1.463627
C -1.773978 2.466420 -1.724249
C 4.331813 -0.925229 -0.315207
C -1.685340 3.347915 -0.623660
C 4.637837 -0.157697 0.830613
C -2.399974 -1.373142 0.955293
C -4.150268 0.336942 1.353620
C -4.671705 -1.736245 0.038034
H 0.705746 -1.476138 -2.474023
H -0.894685 -1.260896 -1.712497
H -0.145909 -3.541100 -1.409104
H 1.334725 -3.037944 -0.547057
H -0.420856 -3.768273 1.039543
H -0.003365 -2.043496 1.293725
H -1.046705 0.644792 -2.648853
H 2.808236 -1.526418 -1.737943
H -0.712679 3.709292 1.299788
H 3.826247 1.188358 2.348183
H -2.432567 2.703842 -2.567085
H 5.118898 -1.494536 -0.821832
H -2.275113 4.269882 -0.596326
H 5.657820 -0.127970 1.226961
H -1.785761 -0.699676 1.588158
H -5.090515 0.249361 1.932175
H -4.317294 1.055753 0.523730
H -3.373328 0.759253 2.013488
H -4.232397 -2.726356 -0.160865
H -4.864466 -1.234463 -0.933602
H -5.635457 -1.849769 0.570193


