%chk=000095821.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095821

0 1
 O   -2.881000      0.1509000     -0.3467000    
 O    2.862500      0.1703000       2.163700    
 N    3.513000     -0.1587000     -5.7399999E-02
 C  -0.9421000      -1.092800      0.2883000    
 C  -0.8133000       1.300800     -1.3000000E-02
 C    1.155600      5.6600001E-02  0.6291000    
 C   -1.555400      0.1199000     -2.6200000E-02
 C   0.4134000      -1.124500      0.6159000    
 C   0.5422000       1.269300      0.3146000    
 C   -1.719700      -2.367500      0.2790000    
 C   -1.452000       2.608500     -0.3469000    
 C    2.569000      2.2399999E-02  0.9700000    
 C    3.119400     -0.3296000      -1.454300    
 C    4.945400     -0.1881000      0.2023000    
 C   -1.696600      -3.049700      -1.085700    
 C   -1.375200       2.926600      -1.837300    
 C    2.907300      -1.789900      -1.796400    
 C    5.554100       1.196100      0.1130000    
 C   -3.801200      0.3356000      0.7261000    
 C   -5.183800      0.3979000      0.1670000    
 C   -6.161400     -0.4540000      0.4950000    
 H   0.8912000      -2.067900      0.8703000    
 H    1.124500       2.188100      0.3232000    
 H   -2.757900      -2.219500      0.5872000    
 H   -1.302100      -3.055600       1.025500    
 H   -2.495900       2.651100     -2.5300000E-02
 H  -0.9543000       3.411500      0.2124000    
 H    2.205200      0.2298000      -1.669100    
 H    3.897500      9.7700000E-02  -2.097400    
 H    5.433200     -0.8765000     -0.4959000    
 H    5.106500     -0.5788000       1.213400    
 H  -0.6720000      -3.280200      -1.396900    
 H   -2.259400      -3.987800      -1.049000    
 H   -2.146900      -2.412700      -1.854300    
 H   -1.900200       2.170600      -2.431000    
 H   -1.835800       3.898500      -2.040600    
 H  -0.3363000       2.964100      -2.182200    
 H    3.828500      -2.364400      -1.653200    
 H    2.135100      -2.257400      -1.183100    
 H    2.609900      -1.891400      -2.845000    
 H    5.425900       1.622900     -0.8870000    
 H    5.085400       1.880200      0.8282000    
 H    6.625600       1.156200      0.3313000    
 H   -3.593600       1.272600       1.254500    
 H   -3.706300     -0.4754000       1.456600    
 H   -5.399400       1.190400     -0.5447000    
 H   -7.147500     -0.3540000      5.4699998E-02
 H   -5.998400      -1.260500       1.201300    


%chk=000095821-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095821

0 1
O -3.007215 0.149319 -0.344150
O 3.000707 1.353491 1.569905
N 3.591329 -0.277547 0.022320
C -0.858760 -0.981965 -0.014014
C -0.991393 1.502402 0.037531
C 1.181709 0.365981 0.330734
C -1.605419 0.224789 -0.084620
C 0.538073 -0.888244 0.193597
C 0.402970 1.546845 0.263315
C -1.526372 -2.334119 -0.216239
C -1.790076 2.786289 -0.132077
C 2.643541 0.514541 0.674863
C 3.371807 -0.992188 -1.257343
C 5.002901 -0.124253 0.462355
C -1.782919 -2.637309 -1.717064
C -2.068595 3.104162 -1.625906
C 3.557955 -2.522382 -1.163526
C 5.712246 1.078183 -0.198768
C -3.856441 0.136929 0.884423
C -5.282227 0.350069 0.454319
C -6.315360 -0.448759 0.817019
H 1.118558 -1.813703 0.280137
H 0.902691 2.511720 0.404353
H -2.494995 -2.370705 0.314648
H -0.888033 -3.126843 0.218222
H -2.758994 2.717970 0.396132
H -1.232116 3.624041 0.326370
H 2.359518 -0.756278 -1.621983
H 4.084044 -0.586238 -2.005530
H 5.535466 -1.065603 0.233898
H 4.996223 0.014558 1.556222
H -0.836479 -2.638195 -2.288171
H -2.261556 -3.626073 -1.841404
H -2.449472 -1.871876 -2.150084
H -2.651606 2.288997 -2.088522
H -2.642307 4.044006 -1.725683
H -1.123585 3.216361 -2.187380
H 4.576444 -2.789800 -0.829818
H 2.841588 -2.971565 -0.453596
H 3.397677 -2.983447 -2.155574
H 5.711032 0.998952 -1.301723
H 5.208900 2.015198 0.091605
H 6.764787 1.130710 0.135371
H -3.517328 0.952637 1.557601
H -3.734268 -0.826281 1.419055
H -5.453776 1.229636 -0.181555
H -7.343168 -0.232053 0.506447
H -6.165005 -1.340661 1.438285


