%chk=000152755.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152755

0 1
 O   -5.075000      -1.151200      0.7478000    
 O   -5.978200      9.9600002E-02   2.410800    
 O    5.353700       3.875700      0.3340000    
 O    6.330900       2.183400       1.343400    
 N   9.3800001E-02 -0.2547000      -1.568700    
 N    3.339400      -1.685700      0.6641000    
 N   -7.274700       1.606400      0.5186000    
 N    5.387700       2.669200      0.6747000    
 C    1.194400     -0.7399000     -0.8117000    
 C    2.227700      0.1319000     -0.4538000    
 C    1.234600      -2.085100     -0.4311000    
 C    3.295700     -0.3909000      0.2948000    
 C    2.341400      -2.521100      0.3167000    
 C   -4.904100       2.003400     -4.7200002E-02
 C   -3.594100       1.412400     -0.4458000    
 C   -1.136500      0.3013000      -1.194300    
 C   -6.025100      0.9559000      0.1310000    
 C    2.213300       1.488300     -0.8229000    
 C   -2.682900       1.012900      0.5316000    
 C   -3.280800       1.258200      -1.796400    
 C   -1.458100      0.4593000      0.1587000    
 C   -2.055900      0.7045000      -2.169300    
 C   0.2102000      -2.983400     -0.7772000    
 C    4.327600      0.4720000      0.6543000    
 C    2.387300      -3.859300      0.6986000    
 C    4.316300       1.820500      0.2894000    
 C    3.257200       2.330100     -0.4509000    
 C   0.2800000      -4.316200     -0.3830000    
 C    1.370900      -4.754700      0.3564000    
 C   -5.696700     -4.2800002E-02   1.227600    
 H   -4.770600       2.569700      0.8854000    
 H   -5.209700       2.747200     -0.7958000    
 H   0.2418000     -0.3338000      -2.570600    
 H   -6.195600      0.4092000     -0.8042000    
 H    1.402700       1.917900      -1.405800    
 H   -2.911700       1.129900       1.587600    
 H   -3.983400       1.563300      -2.567300    
 H  -0.7675000      0.1578000      0.9419000    
 H   -1.826000      0.5901000      -3.225800    
 H  -0.6547000      -2.674900      -1.358500    
 H    5.152200      5.9700001E-02   1.234700    
 H    3.231800      -4.227300       1.278500    
 H    3.210100       3.372000     -0.7562000    
 H  -0.5119000      -5.008300     -0.6524000    
 H    1.435400      -5.792900      0.6688000    
 H   -8.027400      0.9191000      0.5394000    
 H   -7.536900       2.292000     -0.1886000    
 H   -4.876600      -1.796100       1.459700    


%chk=000152755-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152755

0 1
O -6.410653 -0.422419 1.340333
O -5.213723 1.250384 2.424300
O 4.127733 4.213060 0.879602
O 5.554961 2.669695 1.764765
N -0.147534 -1.016678 -1.476841
N 3.611246 -1.750461 0.498022
N -7.120114 2.488734 0.164313
N 4.486997 2.993648 1.116579
C 1.062902 -1.218914 -0.791487
C 1.888956 -0.135662 -0.335761
C 1.535423 -2.566277 -0.613290
C 3.141492 -0.472608 0.335903
C 2.837616 -2.771319 0.011180
C -4.677082 2.410190 -0.276828
C -3.466997 1.540202 -0.580187
C -1.221877 -0.136272 -1.156235
C -5.949520 1.592502 0.063600
C 1.588995 1.253065 -0.567372
C -2.520066 1.211946 0.424534
C -3.267889 1.006615 -1.879798
C -1.415379 0.380789 0.151675
C -2.160925 0.185562 -2.172283
C 0.774353 -3.723098 -0.999894
C 3.978174 0.586141 0.827773
C 3.342126 -4.111817 0.152432
C 3.611085 1.908099 0.609248
C 2.424161 2.263921 -0.109980
C 1.290406 -5.008523 -0.840705
C 2.594468 -5.204990 -0.273521
C -5.768345 0.824409 1.384788
H -4.460577 3.084269 0.573474
H -4.940776 3.037315 -1.147281
H -0.360645 -1.704363 -2.202317
H -6.146142 0.858787 -0.736062
H 0.687596 1.523127 -1.121350
H -2.662622 1.598982 1.439838
H -3.978219 1.252430 -2.678880
H -0.713463 0.125277 0.951511
H -2.011490 -0.194076 -3.190552
H -0.243174 -3.606098 -1.390240
H 4.900476 0.327547 1.352785
H 4.328803 -4.223247 0.611796
H 2.204824 3.319387 -0.285318
H 0.691683 -5.877983 -1.132693
H 2.987442 -6.221037 -0.160726
H -8.024697 2.008561 0.195635
H -7.030264 3.211649 0.886628
H -6.337744 -0.865848 2.229884


