%chk=000152644.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152644

0 1
 O   0.7585000       2.043200       1.286300    
 O   -1.134300     -7.5900003E-02  -1.535200    
 O   -2.905600      1.1100000E-02   1.599200    
 O   -4.655200      -1.311400       1.018200    
 N   0.7149000       1.907800      -1.028400    
 N    3.578700       2.496200      0.6814000    
 N   -2.806100       1.291200     -0.6762000    
 C    2.785500       1.399200      0.1255000    
 C    3.029800      0.1160000      0.9329000    
 C    2.249200      -1.065300      0.4062000    
 C    1.323100       1.824300      0.2156000    
 C   0.9779000      -1.311900      0.8984000    
 C    2.819400      -1.879200     -0.5592000    
 C  -0.6741000       2.269200      -1.180800    
 C   0.2569000      -2.402500      0.4120000    
 C    2.098300      -2.969600      -1.045700    
 C   -1.529400       1.020500      -1.146900    
 C   0.8170000      -3.231200     -0.5600000    
 C   -3.846100      0.2916000     -0.5849000    
 C   -3.858300     -0.4232000      0.7417000    
 H    3.081500       1.242600     -0.9181000    
 H    4.100200     -0.1322000      0.9277000    
 H    2.772600      0.2678000       1.990700    
 H    1.242800       1.688000      -1.867500    
 H    3.480800       3.321300      9.0599999E-02
 H    4.567100       2.248000      0.6597000    
 H  -0.9603000       2.966300     -0.3871000    
 H  -0.7970000       2.755900      -2.152700    
 H   0.5321000     -0.6813000       1.661500    
 H    3.815300      -1.681800     -0.9450000    
 H  -0.7407000      -2.606000      0.7904000    
 H    2.533900      -3.614600      -1.803200    
 H   0.2554000      -4.079900     -0.9390000    
 H   -3.036400       2.233500     -0.3746000    
 H   -4.802600      0.8054000     -0.7147000    
 H   -3.702600     -0.4486000      -1.377700    
 H   -2.932800     -0.4705000       2.453300    


%chk=000152644-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152644

0 1
O 0.326347 1.962210 1.001743
O -2.312321 1.391547 -2.739011
O -2.614616 0.068792 1.946216
O -3.954991 -1.660371 1.160933
N 0.681587 2.219600 -1.273240
N 3.392636 2.453653 0.610720
N -2.042497 1.037681 -0.451904
C 2.564808 1.368413 0.087245
C 2.646883 0.146360 1.044662
C 1.948337 -1.091247 0.499733
C 1.098101 1.860724 -0.005650
C 0.634885 -1.427840 0.917946
C 2.591793 -1.924651 -0.452519
C -0.664468 2.770467 -1.517408
C -0.017274 -2.571009 0.400297
C 1.941681 -3.065101 -0.975559
C -1.750130 1.675805 -1.635200
C 0.633270 -3.392503 -0.549295
C -2.987107 -0.076981 -0.445253
C -3.252362 -0.653899 0.931470
H 2.879953 1.024126 -0.931367
H 3.720994 -0.069917 1.213920
H 2.204105 0.459843 2.006318
H 1.275434 1.999591 -2.075052
H 3.459152 3.319255 0.079096
H 4.209464 2.199597 1.162583
H -0.907054 3.449017 -0.679884
H -0.660618 3.335917 -2.461792
H 0.127024 -0.784050 1.645460
H 3.614024 -1.686279 -0.774610
H -1.026733 -2.828958 0.742814
H 2.454701 -3.700776 -1.706272
H 0.128971 -4.279877 -0.947766
H -1.522388 1.287504 0.404276
H -3.957844 0.234004 -0.880001
H -2.632936 -0.904188 -1.092131
H -2.821412 -0.332461 2.832884


