%chk=000117621.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117621

0 1
 O    3.250700       1.118100      0.3731000    
 O   -1.834600       2.697000     -6.6200003E-02
 N    2.581600      -1.331700      0.9748000    
 N   -2.763600      0.3270000      0.5091000    
 N    4.507300      -3.400200      -1.124200    
 C   0.9701000      0.4875000      0.5079000    
 C  -0.3590000      0.9000000      0.3925000    
 C    1.262600     -0.8409000      0.8395000    
 C    2.870800      -2.688800       1.313600    
 C   -1.395700     -1.6000001E-02  0.6082000    
 C    4.378600      -2.938100       1.307100    
 C    2.073600       1.443300      0.2825000    
 C    1.750800       2.841900     -6.6299997E-02
 C   0.4216000       3.254500     -0.1813000    
 C  -0.6818000       2.298700      4.4100001E-02
 C    5.070500      -2.627500     -2.3800001E-02
 C   0.2265000      -1.750400       1.053800    
 C   -1.099800      -1.338800      0.9383000    
 C    2.787500       3.757800     -0.2821000    
 C   0.1291000       4.583000     -0.5122000    
 C   -3.904600     -0.4105000      0.1464000    
 C    2.491500       5.080900     -0.6114000    
 C    1.165200       5.492500     -0.7264000    
 C    4.709600      -4.833500     -0.9044000    
 C    5.102900      -2.993300      -2.398300    
 C   -5.150400     -8.9699998E-02  0.6912000    
 C   -3.797400      -1.467500     -0.7606000    
 C   -6.171300      -1.876200     -0.5750000    
 C   -6.282000     -0.8215000      0.3309000    
 C   -4.929000      -2.199200      -1.120700    
 C   -7.381100      -2.658700     -0.9601000    
 H    2.398200      -3.383200      0.6093000    
 H    2.496200      -2.918700       2.318500    
 H    4.838500      -2.296800       2.071700    
 H    4.583000      -3.964100       1.633000    
 H    3.335600     -0.6569000      0.9468000    
 H    4.973900      -1.555500     -0.2348000    
 H    6.146500      -2.820800      8.2800001E-02
 H   0.3902000      -2.788400       1.325100    
 H   -1.877800      -2.068900       1.144600    
 H   -2.967600       1.279200      0.7974000    
 H    3.830400       3.464300     -0.1992000    
 H  -0.8957000       4.931400     -0.6083000    
 H    3.296100       5.791100     -0.7787000    
 H   0.9375000       6.523100     -0.9831000    
 H    4.114100      -5.208400     -6.6699997E-02
 H    5.762800      -5.084500     -0.7331000    
 H    4.368200      -5.403100      -1.777200    
 H    4.645000      -3.540100      -3.230000    
 H    6.184800      -3.167700      -2.423400    
 H    4.919800      -1.929400      -2.586500    
 H   -5.250100      0.7292000       1.399300    
 H   -2.848600      -1.726800      -1.222500    
 H   -7.244000     -0.5614000      0.7646000    
 H   -4.830800      -3.016400      -1.830500    
 H   -7.297300      -3.037100      -1.984500    
 H   -8.282500      -2.037700     -0.9211000    
 H   -7.510700      -3.507900     -0.2819000    


%chk=000117621-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117621

0 1
O 3.354098 1.157397 0.660180
O -1.896930 2.749809 -0.157925
N 2.600403 -1.264294 1.077211
N -2.723317 0.350171 0.106861
N 4.549056 -3.659528 -1.054596
C 1.014796 0.524640 0.540996
C -0.354890 0.931893 0.299568
C 1.312071 -0.855338 0.855000
C 3.015952 -2.640481 1.380604
C -1.416624 -0.044425 0.345007
C 4.550540 -2.764002 1.302031
C 2.107707 1.493817 0.462294
C 1.785946 2.903372 0.138029
C 0.437554 3.311257 -0.079492
C -0.670572 2.335133 0.012251
C 5.084287 -2.618900 -0.142915
C 0.215923 -1.787228 0.954808
C -1.090023 -1.398645 0.707748
C 2.831159 3.859885 0.049063
C 0.153536 4.669261 -0.382437
C -3.875235 -0.450762 -0.097344
C 2.540819 5.202115 -0.254372
C 1.196022 5.608714 -0.471327
C 5.164211 -4.985781 -0.846021
C 4.595981 -3.251650 -2.474423
C -5.129706 0.072075 0.324663
C -3.854835 -1.701162 -0.773386
C -6.306558 -1.911225 -0.549911
C -6.318176 -0.646155 0.097010
C -5.054212 -2.414312 -0.983645
C -7.592447 -2.688564 -0.768374
H 2.582347 -3.343069 0.641131
H 2.663645 -2.937250 2.391675
H 5.026782 -1.992835 1.939800
H 4.844982 -3.744035 1.721695
H 3.293963 -0.481585 1.009971
H 4.778429 -1.632749 -0.538947
H 6.204064 -2.623375 -0.121056
H 0.418878 -2.819750 1.252191
H -1.898620 -2.123224 0.832853
H -2.794061 1.399516 0.003962
H 3.855275 3.516811 0.223852
H -0.891417 4.951407 -0.541925
H 3.351057 5.936317 -0.323146
H 0.972791 6.654908 -0.707494
H 5.030114 -5.315416 0.198859
H 6.261343 -4.999236 -1.072753
H 4.671352 -5.729385 -1.497597
H 4.096938 -4.016707 -3.096609
H 5.636507 -3.117639 -2.865480
H 4.054776 -2.298340 -2.605500
H -5.157482 1.040762 0.836403
H -2.916307 -2.091384 -1.179153
H -7.272391 -0.221597 0.432551
H -5.015548 -3.373194 -1.514698
H -7.432336 -3.558384 -1.428616
H -8.375281 -2.055960 -1.226147
H -8.000434 -3.067496 0.188622


