%chk=000132814.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132814

0 1
 O  -0.2991000     -0.2383000      -1.115100    
 O   -2.177500      -4.310000      0.2398000    
 O  -9.0000004E-02  -5.167400      0.2379000    
 O    1.376300       3.565600      0.4559000    
 O   -1.976800       1.678000       1.937900    
 O   -5.644700     -0.6182000     -0.8208000    
 O   -5.344200       1.466500      -1.674700    
 N   -1.415800      -1.816500      0.1690000    
 N   -2.215300       1.588300     -0.3703000    
 N    5.260700      -1.524700     -0.3212000    
 N    4.730200     -0.9635000      -2.526900    
 C   0.5505000      -2.395900       1.513200    
 C  -0.3199000      -2.749700      0.2882000    
 C   -2.590000      0.2003000     -0.4587000    
 C   -1.310600     -0.6235000     -0.5323000    
 C  -0.2004000      -2.519100       2.842700    
 C    1.845300      -3.212000       1.558800    
 C   -3.482100     -7.4000001E-02  -1.666500    
 C  -0.8275000      -4.188700      0.2702000    
 C   -1.540800       3.671800      0.6337000    
 C   -1.936600       2.218800      0.8362000    
 C  -0.5757000       4.197400       1.691700    
 C   0.7408000       3.429900       1.720300    
 C   -4.904700      0.3561000      -1.405400    
 C    2.160000       2.520000      4.2800002E-02
 C    2.815700       1.725700      0.9835000    
 C    2.303500       2.251500      -1.318400    
 C    3.758500      0.3942000     -0.7985000    
 C    3.614900      0.6628000      0.5628000    
 C    3.102900       1.188600      -1.739100    
 C    4.592500     -0.7137000      -1.236800    
 H   0.8481000      -1.342500       1.413900    
 H   0.2866000      -2.642700     -0.6209000    
 H   -3.123600     -5.7000000E-02  0.4653000    
 H   -2.291500      -2.049100      0.6287000    
 H   -1.084200      -1.873600       2.862300    
 H   0.4431000      -2.218900       3.676900    
 H  -0.5257000      -3.548500       3.025600    
 H    2.366700      -3.175100      0.5967000    
 H    2.523400      -2.804300       2.316800    
 H    1.663600      -4.259500       1.816600    
 H   -3.493800      -1.141900      -1.918300    
 H   -3.124800      0.4417000      -2.566200    
 H   -2.094000       2.103800      -1.237300    
 H   -1.105400       3.808000     -0.3631000    
 H   -2.464400       4.262200      0.6617000    
 H  -0.3751000       5.253800       1.476400    
 H   -1.042000       4.147000       2.682500    
 H   0.5385000       2.383900       1.978700    
 H    1.392200       3.860700       2.489400    
 H   -2.460400      -5.248600      0.2059000    
 H   -6.564800     -0.3252000     -0.6477000    
 H    2.754700       1.919400       2.050300    
 H    1.793600       2.866500      -2.054900    
 H    4.106300      8.0600001E-02   1.334500    
 H    3.192200       1.006500      -2.806500    
 H    5.839400      -2.292100     -0.6467000    
 H    5.206200      -1.406700      0.6827000    
 H    5.351000      -1.773400      -2.633700    


%chk=000132814-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132814

0 1
O -3.198101 -2.201432 -1.499027
O -0.902101 -2.549013 2.742183
O -0.189867 -4.588758 1.896647
O 1.370109 2.705412 0.496034
O -1.970913 0.820266 1.633503
O -7.186897 0.995412 -1.094186
O -5.251050 2.045607 -1.805328
N -2.108322 -1.799979 0.523422
N -3.098064 0.997925 -0.383888
N 6.715448 -0.968955 1.152848
N 7.259400 0.434538 -0.743208
C 0.036618 -2.574873 -0.565390
C -1.191971 -2.938164 0.359689
C -3.887887 -0.229497 -0.149806
C -3.031236 -1.507994 -0.444531
C 0.997934 -1.571304 0.108670
C 0.772168 -3.839201 -1.059587
C -5.154738 -0.302251 -1.043206
C -0.722539 -3.474873 1.704047
C -1.569149 2.823973 0.231811
C -2.219677 1.477705 0.561740
C -0.758182 3.423079 1.399796
C 0.530041 2.657464 1.713404
C -5.816963 1.019968 -1.341983
C 2.599688 2.035897 0.524109
C 3.105912 1.337223 1.648079
C 3.359694 2.093719 -0.673813
C 5.119954 0.724668 0.361542
C 4.358505 0.690596 1.555899
C 4.601822 1.446989 -0.748835
C 6.446774 0.044240 0.221904
H -0.434024 -2.086331 -1.441339
H -1.743837 -3.749160 -0.151559
H -4.161031 -0.240132 0.923200
H -1.975605 -1.128478 1.299563
H 0.460114 -0.694864 0.513216
H 1.740994 -1.200273 -0.619596
H 1.556692 -2.044427 0.938672
H 0.085198 -4.518841 -1.596789
H 1.581740 -3.553916 -1.756008
H 1.220113 -4.402930 -0.222466
H -5.883650 -0.986376 -0.584102
H -4.845349 -0.767228 -2.002871
H -3.371684 1.584696 -1.183464
H -0.897652 2.689999 -0.638586
H -2.357330 3.534749 -0.084219
H -0.499560 4.469042 1.150630
H -1.373791 3.437194 2.318477
H 0.302060 1.607681 1.973594
H 1.073956 3.139674 2.550737
H -0.553394 -2.931117 3.592278
H -7.589853 1.869181 -1.353970
H 2.547134 1.296547 2.587082
H 2.955317 2.649521 -1.525469
H 4.750164 0.195551 2.452663
H 5.210707 1.486699 -1.656982
H 7.616436 -1.442079 1.144029
H 5.984203 -1.350781 1.747953
H 8.141523 -0.116687 -0.787710


