%chk=000005615.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005615

0 1
 O   -4.332400     -0.4605000     -0.3224000    
 N    1.991000     -0.6850000      0.6268000    
 N   -1.740400     -0.3046000      -1.303700    
 N   -1.557600       1.915500     -0.4814000    
 C  -0.5415000     -0.9462000     -0.8118000    
 C   0.6887000     -0.2934000      -1.440400    
 C  -0.4767000     -0.8375000      0.7113000    
 C    1.979500     -0.8471000     -0.8338000    
 C   0.8516000      -1.375100       1.247400    
 C    3.251400      -1.173400       1.185900    
 C   -2.304300      0.7888000     -0.6372000    
 C   -2.365100     -0.8339000      -2.514300    
 C    4.436700     -0.4279000      0.6328000    
 C   -3.609000      0.6775000     -0.1582000    
 C    5.061000     -0.8932000     -0.5162000    
 C    4.888200      0.7143000       1.279100    
 C   -4.168500       1.763600      0.5055000    
 C   -2.135000       2.950600      0.1690000    
 C    6.159000     -0.2025000      -1.029000    
 C    5.986200       1.405100      0.7662000    
 C   -4.780800      -1.124100      0.8599000    
 C   -3.424200       2.925500      0.6765000    
 C    6.621600      0.9466000     -0.3879000    
 C   -6.301400      -1.163100      0.8659000    
 C   -4.178000      -2.519700      0.9101000    
 H  -0.5551000      -2.011000      -1.081200    
 H   0.6712000      0.7951000      -1.304000    
 H   0.6940000     -0.4647000      -2.524000    
 H   -1.296600      -1.389100       1.178300    
 H  -0.5557000      0.1956000       1.067300    
 H    2.099500      -1.900400      -1.119300    
 H    2.772100     -0.2694000      -1.315700    
 H   0.8696000      -1.220400       2.333300    
 H   0.9073000      -2.457700       1.072600    
 H    3.378000      -2.250600       1.007400    
 H    3.246700      -1.054000       2.277800    
 H   -2.932900     -6.0600001E-02  -3.043400    
 H   -3.037200      -1.661900      -2.268000    
 H   -1.607000      -1.212800      -3.208300    
 H    4.723100      -1.795500      -1.018200    
 H    4.399600       1.081500       2.177300    
 H   -5.184100       1.726700      0.8878000    
 H   -1.512900       3.833000      0.2758000    
 H    6.656000     -0.5614000      -1.925600    
 H    6.346300       2.300100       1.265100    
 H   -4.446000     -0.5943000       1.762100    
 H   -3.840500       3.785200       1.189000    
 H    7.477000       1.483900     -0.7868000    
 H   -6.682400      -1.671200       1.757100    
 H   -6.718300     -0.1514000      0.8384000    
 H   -6.681000      -1.681800     -2.1400001E-02
 H   -4.474400      -3.047600       1.821600    
 H   -3.088700      -2.485200      0.8657000    
 H   -4.501700      -3.111100      4.6100002E-02


%chk=000005615-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005615

0 1
O -4.506467 -0.792706 0.205729
N 2.597165 -0.933886 0.487241
N -1.702402 -1.030608 -0.283100
N -1.401461 1.185426 0.505237
C -0.247383 -1.327990 -0.130540
C 0.686865 -0.511565 -1.063423
C 0.266010 -1.244384 1.324485
C 2.138635 -1.010295 -0.922305
C 1.728985 -1.730131 1.387370
C 4.030629 -1.266424 0.637861
C -2.259829 0.166543 0.184468
C -2.352523 -1.832412 -1.340761
C 4.961658 -0.200158 0.064203
C -3.687475 0.338471 0.392873
C 6.203804 -0.563029 -0.512098
C 4.621693 1.173747 0.149263
C -4.164389 1.589579 0.830704
C -1.881927 2.370562 0.975453
C 7.097875 0.425943 -0.983828
C 5.510060 2.163567 -0.325445
C -5.965724 -0.705781 0.505057
C -3.253442 2.636203 1.124786
C 6.754053 1.794235 -0.890710
C -6.713860 -0.055441 -0.672976
C -6.401775 -2.151921 0.764526
H -0.159831 -2.394980 -0.435765
H 0.619155 0.551823 -0.782880
H 0.366588 -0.616983 -2.118792
H -0.363796 -1.874089 1.981771
H 0.208924 -0.201307 1.674704
H 2.211932 -2.066103 -1.303625
H 2.812290 -0.392740 -1.543087
H 2.109904 -1.627519 2.421279
H 1.767860 -2.823573 1.126601
H 4.285776 -2.258882 0.181771
H 4.229220 -1.363926 1.724968
H -3.410495 -1.561882 -1.438642
H -2.296959 -2.909341 -1.093272
H -1.846586 -1.673783 -2.317374
H 6.472550 -1.624311 -0.593714
H 3.649618 1.440497 0.579185
H -5.234798 1.755467 0.980554
H -1.125563 3.123972 1.223969
H 8.055750 0.129816 -1.427156
H 5.234106 3.222318 -0.255521
H -6.095404 -0.107757 1.430721
H -3.607477 3.611324 1.471468
H 7.443976 2.562515 -1.258377
H -7.790655 0.034736 -0.438902
H -6.324854 0.951292 -0.902116
H -6.607524 -0.679333 -1.578096
H -7.479342 -2.188478 1.007020
H -5.834480 -2.583116 1.606399
H -6.222761 -2.773899 -0.130258


