%chk=000173644.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173644

0 1
 O    5.522200       2.236600      0.7880000    
 O   -3.669800      -2.071000     -0.4475000    
 N   0.6648000      0.2790000      -1.176000    
 N    3.948500      0.5658000      0.4581000    
 N   -5.791000       1.910300     -3.9999999E-02
 C    2.782900       1.419400      0.5130000    
 C    2.440900       1.976500     -0.8709000    
 C    1.578500      0.6726000       1.090900    
 C    1.841100      0.9084000      -1.790900    
 C    1.007900     -0.3522000      0.1054000    
 C   7.3200002E-02 -0.7006000      -2.087000    
 C   -1.178700      -1.317600      -1.459800    
 C   -2.253600     -0.2700000      -1.157000    
 C    5.236900       1.056500      0.6027000    
 C   -3.551300     -0.8551000     -0.6029000    
 C   -4.663200      5.5599999E-02 -0.2749000    
 C    6.328200      5.4299999E-02  0.4950000    
 C   -5.916000     -0.2999000      0.2374000    
 C   -4.587400       1.397400     -0.4434000    
 C   -6.622000      0.8965000      0.3808000    
 C    7.573100      0.4686000      6.9300003E-02
 C    6.062000      -1.258400      0.8248000    
 C   -6.545500      -1.506700      0.6018000    
 C   -7.931300      0.9465000      0.8724000    
 C   -7.854900      -1.471900       1.095000    
 C    8.598000     -0.4723000     -3.1700000E-02
 C    7.086900      -2.199200      0.7241000    
 C   -8.535200     -0.2630000       1.227400    
 C    8.354900      -1.806000      0.2958000    
 H    3.021800       2.259600       1.176300    
 H    3.330700       2.407100      -1.345500    
 H    1.716200       2.793500     -0.7574000    
 H   0.7946000       1.399100       1.343000    
 H    1.855700      0.1671000       2.024100    
 H    1.550700       1.395500      -2.729900    
 H    2.603600      0.1585000      -2.038500    
 H    1.714200      -1.179800     -3.6699999E-02
 H   0.1285000     -0.7592000      0.6118000    
 H  -0.2077000     -0.2127000      -3.028800    
 H   0.7854000      -1.498500      -2.333800    
 H  -0.9650000      -1.941100     -0.5858000    
 H   -1.593500      -2.021700      -2.194800    
 H    3.799700     -0.4009000      0.1905000    
 H   -1.880000      0.4462000     -0.4168000    
 H   -2.495200      0.2727000      -2.078600    
 H   -3.812600       2.058200     -0.8063000    
 H   -6.035100       2.891000     -4.9400002E-02
 H    7.777600       1.502000     -0.1943000    
 H    5.100100      -1.598100       1.194700    
 H   -6.037700      -2.461900      0.5086000    
 H   -8.461800       1.887100      0.9759000    
 H   -8.345600      -2.399500       1.377700    
 H   -9.551700     -0.2592000       1.612600    
 H    9.585200     -0.1666000     -0.3659000    
 H    6.900400      -3.236500      0.9866000    
 H    9.153300      -2.538300      0.2190000    


%chk=000173644-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173644

0 1
O 5.427963 2.085768 0.903855
O -3.102692 -1.412726 0.242413
N 0.692790 0.373028 -1.169409
N 3.901661 0.356363 0.649487
N -6.468416 1.556155 -0.990768
C 2.722552 1.237267 0.815806
C 2.419896 2.043886 -0.475458
C 1.484514 0.397086 1.198188
C 1.897208 1.131776 -1.599943
C 0.972856 -0.464209 0.021826
C 0.090787 -0.387685 -2.294005
C -1.304134 -0.961956 -1.963704
C -2.287812 0.121199 -1.464524
C 5.193010 0.845579 0.724298
C -3.373353 -0.439141 -0.538085
C -4.704651 0.183326 -0.521406
C 6.310677 -0.159066 0.573086
C -5.829647 -0.197348 0.332448
C -5.150606 1.259532 -1.311088
C -6.920894 0.679816 0.015537
C 7.594433 0.342352 0.238528
C 6.144344 -1.555412 0.771377
C -6.011720 -1.192064 1.327182
C -8.177731 0.599276 0.651227
C -7.264226 -1.280295 1.968098
C 8.687127 -0.534819 0.080378
C 7.239786 -2.433728 0.617441
C -8.333775 -0.397989 1.636225
C 8.512275 -1.927052 0.265113
H 2.975593 1.948030 1.623289
H 3.333810 2.573054 -0.798133
H 1.650921 2.803560 -0.237810
H 0.676321 1.090073 1.494962
H 1.708450 -0.249371 2.068100
H 1.623745 1.743585 -2.479883
H 2.716807 0.438037 -1.925920
H 1.716490 -1.274536 -0.224528
H 0.045926 -0.976603 0.331850
H 0.009127 0.312297 -3.149395
H 0.757648 -1.226124 -2.624800
H -1.234211 -1.745912 -1.188526
H -1.703041 -1.456414 -2.870382
H 3.741172 -0.619727 0.397400
H -1.693776 0.854986 -0.876683
H -2.729479 0.676297 -2.312218
H -4.618476 1.832205 -2.067979
H -7.024614 2.294547 -1.418113
H 7.706079 1.424900 0.117680
H 5.177159 -1.968060 1.084026
H -5.186244 -1.863715 1.574801
H -9.000598 1.276706 0.397624
H -7.423382 -2.042409 2.738961
H -9.293769 -0.495848 2.155169
H 9.673179 -0.136578 -0.182962
H 7.103937 -3.508396 0.781978
H 9.360907 -2.609807 0.145572


