%chk=000152417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152417

0 1
 O  -0.8885000      3.1700000E-02  -1.561900    
 O   -4.925900      0.2295000     -0.7186000    
 O    1.903700      -2.760400      -1.068400    
 O   0.8262000      -2.543000      0.9212000    
 N   -2.844900       1.259500     -0.4174000    
 N   0.4719000      0.1513000      0.3178000    
 C   -1.690600       1.088000      0.4187000    
 C   -2.204300      0.2541000       1.577100    
 C    1.634900     -0.5628000     -0.2554000    
 C    2.921900     -0.1074000      0.4390000    
 C    3.282700       1.377400      0.2273000    
 C   -3.372700     -0.5341000      0.9860000    
 C  -0.6673000      0.3709000     -0.4023000    
 C   -3.855200      0.3443000     -0.1423000    
 C    3.427900       1.735900      -1.252400    
 C    4.583500       1.703400      0.9668000    
 C    1.396600      -2.038300     -3.5200000E-02
 H   -1.311200       2.066200      0.7292000    
 H   -2.589600      0.9201000       2.359900    
 H   -1.466600     -0.4059000       2.042500    
 H    2.842900     -0.3029000       1.517400    
 H    3.752500     -0.7319000      8.2599998E-02
 H    1.652800     -0.3725000      -1.333500    
 H    2.490300       2.003500      0.6557000    
 H   -4.164600     -0.6990000       1.720600    
 H   -3.039900      -1.490200      0.5701000    
 H   -2.906900       1.948700      -1.160500    
 H   0.5250000      0.4418000       1.290000    
 H    3.781900       2.766100      -1.369000    
 H    4.143300       1.074900      -1.753200    
 H    2.470200       1.666100      -1.776600    
 H    4.833000       2.765000      0.8661000    
 H    5.422400       1.119200      0.5733000    
 H    4.488400       1.484100       2.035500    
 H    1.757300      -3.722800     -0.9480000    


%chk=000152417-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152417

0 1
O -0.406051 0.380147 -0.964989
O -3.974943 2.725741 -0.536582
O 2.975846 -3.043043 0.117205
O 1.635057 -2.740183 1.990483
N -2.247879 1.824259 0.791866
N 0.624772 -0.388688 0.980405
C -1.658446 0.535883 1.158851
C -2.840091 -0.461591 0.870899
C 1.807538 -0.938281 0.304900
C 3.076173 -0.036082 0.444733
C 2.949981 1.351759 -0.236093
C -3.687710 0.249134 -0.211330
C -0.426128 0.186479 0.287899
C -3.368098 1.743735 -0.037723
C 2.821811 1.234934 -1.773484
C 4.169225 2.222535 0.153285
C 2.092189 -2.312055 0.905472
H -1.376650 0.516869 2.229514
H -3.426266 -0.590420 1.797355
H -2.470658 -1.451197 0.556972
H 3.291954 0.096872 1.524654
H 3.932235 -0.581779 0.002084
H 1.559643 -1.047203 -0.766211
H 2.034566 1.845255 0.149991
H -4.770990 0.076867 -0.111685
H -3.383749 -0.042194 -1.232147
H -1.772432 2.715827 0.937330
H 0.523323 -0.612120 1.975228
H 2.817450 2.238374 -2.237387
H 3.675412 0.670705 -2.197643
H 1.880434 0.738427 -2.066533
H 4.088678 3.230704 -0.292451
H 5.110485 1.768394 -0.212826
H 4.253295 2.340799 1.250254
H 3.171121 -3.918363 0.549804


