%chk=000068699.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068699

0 1
 O    2.006500       1.920300       1.727600    
 N  -0.5073000       1.041500     -4.6999999E-03
 N   -2.017400      -3.055200      0.2828000    
 C   0.9134000       1.066700     -0.2637000    
 C    1.705300      0.7304000       1.017200    
 C    1.298100      7.4999998E-03  -1.312700    
 C    2.917400      5.5399999E-02  0.4439000    
 C    2.683100     -0.3520000     -0.8744000    
 C   -1.092200     -0.1888000      0.5186000    
 C   -2.222400     -0.6778000     -0.3865000    
 C   -1.302700       2.166600     -0.2349000    
 C    4.124100     -0.2165000       1.069100    
 C    3.649200      -1.035500      -1.594200    
 C   -2.937800      -1.937700      0.1109000    
 C    5.108200     -0.8948000      0.3468000    
 C    4.872600      -1.301200     -0.9757000    
 C  -0.9574000       3.071800      -1.238600    
 C   -2.442300       2.385200      0.5393000    
 C   0.9571000       2.276100       2.617100    
 C   -1.732500      -3.691300      -1.004700    
 C   -2.565500      -4.034900       1.222500    
 C   -1.751300       4.195500      -1.467800    
 C   -3.236200       3.508900      0.3100000    
 C   -2.890700       4.414100     -0.6937000    
 C  -0.7229000      -4.815900     -0.8499000    
 C   -3.856400      -4.638400      0.6957000    
 H    1.271000       2.047300     -0.6055000    
 H    1.222900      1.1000000E-03   1.678200    
 H   0.6724000     -0.8886000      -1.320300    
 H    1.295100      0.4445000      -2.316800    
 H   -1.454700     -3.3100002E-02   1.541900    
 H  -0.3484000     -0.9881000      0.6020000    
 H   -2.998400      8.4899999E-02 -0.5068000    
 H   -1.831700     -0.8399000      -1.398700    
 H    4.305300      8.5400000E-02   2.095100    
 H    3.464800      -1.360800      -2.612400    
 H   -3.402600      -1.672300       1.070200    
 H   -3.757200      -2.172400     -0.5805000    
 H    6.064000      -1.116200      0.8142000    
 H    5.648000      -1.833300      -1.520100    
 H  -0.1044000       2.920700      -1.893100    
 H   -2.735200       1.720400       1.346100    
 H    1.333500       3.063600       3.276700    
 H   0.6506000       1.431800       3.242400    
 H   0.1051000       2.686200       2.076400    
 H   -2.622600      -4.042600      -1.538500    
 H   -1.263800      -2.954000      -1.667400    
 H   -1.842500      -4.820200       1.467200    
 H   -2.764900      -3.542600       2.183300    
 H   -1.488100       4.895600      -2.255300    
 H   -4.120800       3.682300      0.9157000    
 H   -3.509500       5.288400     -0.8728000    
 H   -1.156600      -5.712100     -0.3965000    
 H  -0.3511000      -5.112400      -1.837300    
 H   0.1441000      -4.502900     -0.2579000    
 H   -4.273100      -5.296000       1.468500    
 H   -3.712000      -5.269300     -0.1857000    
 H   -4.631700      -3.897600      0.4815000    


%chk=000068699-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068699

0 1
O 1.976376 1.959079 1.462760
N -0.881030 1.095802 -0.032444
N -1.908207 -3.068668 0.058663
C 0.534691 0.794244 -0.301862
C 1.482800 0.676802 0.952398
C 0.798581 -0.531884 -1.098710
C 2.636438 -0.151910 0.415485
C 2.248300 -0.839468 -0.761428
C -1.733576 -0.000779 0.466551
C -2.591185 -0.734888 -0.600841
C -1.408467 2.395248 -0.193286
C 3.935718 -0.279724 0.938945
C 3.162873 -1.681612 -1.424864
C -3.048174 -2.119552 -0.082427
C 4.857186 -1.123455 0.271696
C 4.471717 -1.821199 -0.899816
C -0.569075 3.536943 -0.404679
C -2.819119 2.628530 -0.123189
C 1.145545 2.549914 2.519128
C -1.565198 -3.729141 -1.229272
C -2.029488 -3.989325 1.220449
C -1.121543 4.822091 -0.577124
C -3.354839 3.922484 -0.281656
C -2.518161 5.036128 -0.521495
C -0.212567 -4.465184 -1.204873
C -3.167056 -5.045187 1.152688
H 0.954898 1.613127 -0.911644
H 0.952605 0.137476 1.773235
H 0.142984 -1.346527 -0.734544
H 0.610993 -0.407188 -2.180364
H -2.393620 0.387598 1.267977
H -1.082963 -0.763358 0.932902
H -3.480118 -0.136831 -0.878758
H -1.998328 -0.854560 -1.525937
H 4.226329 0.284493 1.831255
H 2.874732 -2.213147 -2.339742
H -3.516441 -1.990736 0.914022
H -3.843688 -2.524221 -0.753233
H 5.877081 -1.233458 0.657565
H 5.196330 -2.467415 -1.408699
H 0.520140 3.434760 -0.397381
H -3.508225 1.795614 0.037787
H 1.716362 3.412598 2.898976
H 0.978529 1.826911 3.345489
H 0.168745 2.898846 2.133160
H -2.367618 -4.436224 -1.558829
H -1.521776 -2.936905 -2.000680
H -1.060894 -4.505274 1.354108
H -2.171365 -3.362165 2.121680
H -0.443303 5.668556 -0.738081
H -4.442059 4.055686 -0.225865
H -2.939065 6.038388 -0.651419
H -0.226608 -5.342859 -0.534144
H 0.037251 -4.828851 -2.218645
H 0.593883 -3.789233 -0.868261
H -3.186151 -5.642066 2.083578
H -3.027445 -5.745492 0.309070
H -4.156236 -4.565032 1.038426


