%chk=000115409.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115409

0 1
 O    3.692800     -0.1885000     -0.4860000    
 O   -2.928700       1.950300      -1.160200    
 O   -2.495500      -2.714900     -0.2461000    
 O    3.315200      -2.429400     -5.2900001E-02
 O   -2.512800       2.394900       1.100200    
 O   -2.083000      -2.200200       2.000000    
 N    2.193700       1.618900      3.0500000E-02
 C    2.316300      0.1779000     -0.2295000    
 C    1.492600     -0.1461000      -1.489800    
 C    2.915600       2.017500       1.230900    
 C   9.7000003E-03 -0.2292000      -1.211500    
 C    2.110200       1.658300       2.476400    
 C    3.202800       3.514600       1.177000    
 C  -0.5653000      -1.448400     -0.8527000    
 C  -0.7845000      0.9129000      -1.314700    
 C   -2.153500      0.8358000      -1.059100    
 C   -1.934400      -1.525400     -0.5971000    
 C   -2.728500     -0.3833000     -0.7004000    
 C    4.046300      -1.499100     -0.3634000    
 C    5.506900      -1.648200     -0.6629000    
 C   -3.039400       2.682200      3.3399999E-02
 C   -2.516100      -2.953300       1.137900    
 C   -3.909300       3.885200     -0.1807000    
 C   -3.150900      -4.282500       1.420700    
 H    1.941000     -0.4018000      0.6220000    
 H    1.818600      -1.100000      -1.925300    
 H    1.688900      0.5827000      -2.288800    
 H    3.891200       1.519400       1.288900    
 H    2.562000       2.122100     -0.7766000    
 H    2.613200       2.026900       3.377400    
 H    1.993700      0.5767000       2.594500    
 H    1.110400       2.106800       2.449600    
 H    3.751100       3.836200       2.069300    
 H    3.815100       3.769200      0.3045000    
 H    2.277600       4.099700       1.124200    
 H   4.9600001E-02  -2.341200     -0.7691000    
 H  -0.3442000       1.865600      -1.598400    
 H   -3.795900     -0.4436000     -0.5023000    
 H    5.789100      -2.701600     -0.5775000    
 H    6.093500      -1.070700      5.5900000E-02
 H    5.712100      -1.315700      -1.683600    
 H   -3.466500       4.529500     -0.9441000    
 H   -3.983800       4.450000      0.7530000    
 H   -4.911600       3.567400     -0.4782000    
 H   -4.179400      -4.286100       1.051600    
 H   -3.166400      -4.454900       2.500500    
 H   -2.568900      -5.077300      0.9479000    


%chk=000115409-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115409

0 1
O 3.806523 -0.087654 -0.739430
O -3.264975 2.149992 -1.110203
O -2.459442 -2.267317 0.499345
O 3.330234 -2.361258 -0.940904
O -1.934783 3.859245 -2.045849
O -0.787328 -2.456225 2.147931
N 2.296754 1.312350 0.585632
C 2.316044 0.155914 -0.204473
C 1.424473 0.219064 -1.461042
C 2.809289 1.292667 1.981036
C -0.049527 0.140620 -1.089978
C 1.813077 0.574633 2.920835
C 3.057854 2.745505 2.432402
C -0.543556 -1.041240 -0.487828
C -0.911918 1.240103 -1.320809
C -2.267576 1.139753 -0.931373
C -1.891840 -1.091533 -0.088190
C -2.772614 -0.018827 -0.305377
C 4.140589 -1.399863 -1.030909
C 5.588697 -1.518315 -1.469606
C -3.038991 3.435774 -1.648497
C -1.819901 -2.892259 1.607492
C -4.346349 4.196602 -1.650808
C -2.603860 -4.124872 1.993201
H 2.109683 -0.750400 0.387555
H 1.695197 -0.634929 -2.106526
H 1.642918 1.148476 -2.018705
H 3.779508 0.749049 2.005540
H 2.378633 2.203232 0.089659
H 2.237192 0.491062 3.938854
H 1.571642 -0.445147 2.571590
H 0.865628 1.140267 2.974481
H 3.419903 2.768636 3.474645
H 3.815283 3.241309 1.796458
H 2.118970 3.329052 2.384049
H 0.117085 -1.898027 -0.326234
H -0.536722 2.152450 -1.784881
H -3.820398 -0.076507 -0.001779
H 5.837608 -2.574158 -1.651368
H 6.257135 -1.102566 -0.695987
H 5.752815 -0.934483 -2.392477
H -5.122675 3.622894 -2.184851
H -4.202014 5.174536 -2.131662
H -4.700066 4.341300 -0.614817
H -3.644291 -3.851209 2.239316
H -2.129846 -4.611303 2.857385
H -2.643460 -4.827091 1.142555


