%chk=000089254.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089254

0 1
 O   -2.108100      -3.063000       1.647200    
 O    5.925700      -1.408400     -0.6833000    
 O   -4.743600      -2.906700     -9.3999999E-03
 O   -4.405500       4.011100     -6.0600001E-02
 N    1.074800      -2.427700     -0.1605000    
 N    3.602300      -1.159600     -0.6162000    
 N   -3.144100      -1.221100     -0.2901000    
 N   -4.979300       1.755300      3.9200000E-02
 N   -5.321000     -0.6515000      9.5200002E-02
 N   -2.713500       2.434000     -0.3603000    
 C    1.380000      -1.133600      0.4665000    
 C    2.297700      -3.231300     -0.3013000    
 C   7.1099997E-02  -3.151900      0.6184000    
 C    2.406200     -0.3511000     -0.3558000    
 C    3.332600      -2.493200      -1.149000    
 C   -1.216100      -2.339300      0.7977000    
 C   -1.954400      -2.010200     -0.5015000    
 C    4.922900     -0.7302000     -0.4650000    
 C   -3.206500      0.1364000     -0.2772000    
 C   -4.606300      0.4344000     -2.9300001E-02
 C   -4.430500      -1.723200     -6.3600004E-02
 C   -2.321300       1.109400     -0.4319000    
 C    5.156800      0.6485000     -1.5100000E-02
 C   -4.056000       2.827900     -0.1230000    
 C   -6.373300       2.099500      0.2865000    
 C    5.256900      0.9252000       1.345700    
 C    5.277000       1.671200     -0.9520000    
 C   -1.702200       3.472100     -0.5365000    
 C    5.478800       2.234500       1.772800    
 C    5.498900       2.980400     -0.5250000    
 C    5.599700       3.262000      0.8374000    
 H    1.758300      -1.275700       1.487400    
 H   0.5057000     -0.4809000      0.5185000    
 H    2.066100      -4.185000     -0.7905000    
 H    2.726300      -3.459700      0.6837000    
 H  -0.1806000      -4.097400      0.1201000    
 H   0.4631000      -3.430000       1.606500    
 H    1.986400     -7.9899997E-02  -1.332600    
 H    2.651600      0.5795000      0.1607000    
 H    4.254500      -3.081300      -1.204500    
 H    2.966500      -2.362800      -2.174900    
 H   -1.030800      -1.414900       1.351700    
 H   -1.306200      -1.489500      -1.214400    
 H   -2.272600      -2.948600     -0.9727000    
 H   -1.649800      -3.221900       2.490100    
 H   -1.270500      0.9229000     -0.6186000    
 H   -7.001600       1.212700      0.3990000    
 H   -6.739800       2.702700     -0.5500000    
 H   -6.429600       2.704500       1.196800    
 H    5.163000      0.1315000       2.082200    
 H    5.199200       1.461900      -2.015600    
 H   -2.124400       4.476700     -0.4543000    
 H   -1.250300       3.361100      -1.527300    
 H  -0.9325000       3.350600      0.2324000    
 H    5.556900       2.453900       2.833700    
 H    5.592800       3.780600      -1.253300    
 H    5.772200       4.281400       1.169800    


%chk=000089254-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089254

0 1
O -2.037210 -3.373217 2.369248
O 5.147966 -1.063193 -1.426561
O -5.305118 -2.982821 0.447574
O -3.735467 3.711429 -1.040819
N 0.769834 -1.996619 0.234451
N 3.016041 -0.441499 -0.721671
N -3.375204 -1.636431 0.016451
N -4.671126 1.637309 -0.486795
N -5.480821 -0.599825 0.057032
N -2.301965 1.849282 -0.857815
C 1.440846 -1.003240 1.113804
C 1.755396 -2.588863 -0.713060
C 0.018393 -3.014349 1.017147
C 2.100327 0.123934 0.287710
C 2.398109 -1.483970 -1.570995
C -1.420799 -2.533275 1.331397
C -2.334667 -2.657688 0.091886
C 4.404483 -0.268829 -0.764131
C -3.181418 -0.292515 -0.277615
C -4.520625 0.284658 -0.229952
C -4.801935 -1.864205 0.211398
C -2.093907 0.482251 -0.595610
C 5.006492 0.912657 -0.043996
C -3.572891 2.478213 -0.811007
C -6.014618 2.258709 -0.441506
C 6.245538 0.725980 0.620463
C 4.449815 2.216338 -0.120519
C -1.138754 2.693433 -1.203359
C 6.897103 1.816576 1.234043
C 5.112472 3.311150 0.476853
C 6.331373 3.112071 1.165822
H 2.225644 -1.492843 1.744470
H 0.694716 -0.555116 1.796246
H 1.228286 -3.301454 -1.372854
H 2.560578 -3.146583 -0.175918
H -0.039166 -3.951861 0.433030
H 0.539857 -3.265947 1.972281
H 1.308017 0.713749 -0.219341
H 2.653917 0.794059 0.962464
H 3.188742 -1.904205 -2.212876
H 1.619306 -1.011226 -2.202108
H -1.384696 -1.472588 1.661806
H -1.711712 -2.607370 -0.821798
H -2.842062 -3.637869 0.139049
H -1.609882 -3.196458 3.245352
H -1.070785 0.103847 -0.666827
H -6.734348 1.465026 -0.192808
H -6.252739 2.707758 -1.419158
H -6.033694 3.054580 0.320483
H 6.692202 -0.273627 0.629385
H 3.521051 2.381683 -0.679147
H -1.506066 3.711211 -1.399990
H -0.637765 2.303070 -2.106659
H -0.420826 2.722363 -0.363823
H 7.849100 1.661159 1.753107
H 4.685025 4.316690 0.396925
H 6.843237 3.960798 1.632742


