%chk=000120961.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120961

0 1
 O   -5.310700       2.057800     -1.9900000E-02
 O   -6.848400     -0.2244000     -0.4118000    
 N   0.9160000     -0.8484000     -0.1089000    
 N    3.676800     -0.1159000     -8.4700003E-02
 N    5.939700     -0.8900000     -0.2511000    
 C    1.375500      0.2911000      0.6942000    
 C    1.723300     -0.9563000      -1.330600    
 C    2.843000      0.1244000       1.097000    
 C    3.201700      -1.165700     -0.9948000    
 C  -0.5007000     -0.7034000     -0.4417000    
 C   -1.361100     -0.6841000      0.8223000    
 C    5.053400      0.1281000     -2.4000000E-02
 C   -2.827000     -0.5576000      0.4920000    
 C    5.489600       1.427000      0.2721000    
 C   -3.395300      0.7030000      0.3882000    
 C   -3.582600      -1.704100      0.2987000    
 C   -4.751400      0.8198000      8.3499998E-02
 C    6.854400       1.685300      0.3357000    
 C   -4.938700      -1.587400     -5.9000002E-03
 C   -5.523100     -0.3253000     -0.1135000    
 C    7.258500     -0.6010000     -0.1804000    
 C    7.762200      0.6574000      0.1064000    
 C   -5.295300       2.670200      -1.307900    
 C   -7.759700     -0.2004000      0.6851000    
 H   0.8315000      0.3808000       1.637600    
 H    1.248100       1.233700      0.1450000    
 H    1.611700     -5.5900000E-02  -1.949800    
 H    1.385500      -1.809400      -1.931300    
 H    3.156300       1.026900       1.634200    
 H    2.951800     -0.7187000       1.791500    
 H    3.349200      -2.149300     -0.5306000    
 H    3.772300      -1.149800      -1.931900    
 H  -0.6758000      0.2053000      -1.033800    
 H  -0.8150000      -1.550600      -1.065600    
 H   -1.121300      0.1517000       1.486900    
 H   -1.194400      -1.595400       1.411900    
 H    4.785600       2.237100      0.4385000    
 H   -2.796400       1.597300      0.5392000    
 H   -3.136000      -2.691100      0.3785000    
 H   -5.533600      -2.483600     -0.1592000    
 H    7.210000       2.686300      0.5604000    
 H    7.924700      -1.436800     -0.3674000    
 H    8.830500      0.8359000      0.1500000    
 H   -5.847800       2.061600      -2.030700    
 H   -4.266000       2.818100      -1.649800    
 H   -5.781300       3.646400      -1.228800    
 H   -8.773600     -0.1097000      0.2861000    
 H   -7.560500      0.6590000       1.333100    
 H   -7.691600      -1.129000       1.260400    


%chk=000120961-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120961

0 1
O -5.366263 2.049796 -0.199025
O -6.917818 -0.398954 -0.631868
N 0.992414 -0.770266 0.169162
N 3.844520 -0.309078 0.198786
N 5.802868 -0.396064 -1.104543
C 1.569652 0.377050 0.909421
C 1.827060 -1.069167 -1.025162
C 3.017656 0.077290 1.352075
C 3.267826 -1.404727 -0.608783
C -0.435304 -0.578998 -0.182211
C -1.380752 -0.658268 1.046884
C 5.159907 0.112894 0.002866
C -2.842124 -0.579846 0.631111
C 5.827019 1.030393 0.882601
C -3.464703 0.674398 0.411790
C -3.598413 -1.756921 0.395683
C -4.804463 0.761704 -0.019421
C 7.142269 1.425180 0.583058
C -4.947582 -1.680369 -0.013677
C -5.566561 -0.427519 -0.208217
C 7.076104 0.002141 -1.365108
C 7.797559 0.913701 -0.565325
C -5.797806 2.344381 -1.585790
C -7.849141 0.237339 0.329568
H 0.964833 0.573846 1.812379
H 1.567321 1.307055 0.282959
H 1.843492 -0.207313 -1.739601
H 1.391344 -1.939888 -1.549265
H 3.426270 0.978647 1.834857
H 3.000467 -0.742124 2.102981
H 3.259133 -2.340810 -0.010025
H 3.916571 -1.550308 -1.485572
H -0.608951 0.391689 -0.714927
H -0.717437 -1.383721 -0.887471
H -1.149378 0.164494 1.749301
H -1.171512 -1.607789 1.572683
H 5.342850 1.417074 1.782585
H -2.916602 1.610705 0.568310
H -3.134106 -2.737997 0.550803
H -5.547310 -2.582015 -0.175585
H 7.658740 2.125172 1.249662
H 7.530462 -0.439512 -2.260735
H 8.820968 1.199929 -0.822435
H -6.536485 1.601807 -1.937354
H -4.921967 2.350195 -2.262282
H -6.246638 3.348651 -1.545816
H -8.832742 0.226771 -0.164470
H -7.538287 1.273429 0.555013
H -7.890961 -0.353178 1.264534


