%chk=000073364.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073364

0 1
 O    1.621100     -0.2023000      -1.918600    
 O   -2.185900     -0.1424000      0.1090000    
 O    6.489000      0.4260000      -1.107400    
 O  -0.4130000      0.5096000       1.415400    
 N    3.170900     -0.1839000     -0.1892000    
 N  -0.2140000      -1.193000     -0.1488000    
 C    1.485800      -2.980100     -0.2735000    
 C    1.171900      -1.517900      6.8300001E-02
 C   0.6722000      -4.019900      0.5238000    
 C    4.108200      0.7413000     -0.7844000    
 C    4.325500       1.956400      0.1167000    
 C    1.995600     -0.5822000     -0.8110000    
 C    3.044800       2.771000      0.3272000    
 C   0.9460000      -3.851600       2.020900    
 C   0.9875000      -5.455300      0.1007000    
 C    3.304300       3.991900       1.210900    
 C    5.368800     -6.7699999E-02  -1.011300    
 C  -0.8915000     -0.2068000      0.5422000    
 C    2.043200       4.819400       1.402300    
 C   -3.008500      0.8431000      0.7437000    
 C   -4.388000      0.7815000      0.1566000    
 C   -4.708100       1.560500     -0.9553000    
 C   -5.350300     -5.5100001E-02  0.7224000    
 C   -5.990500       1.503200      -1.501200    
 C   -6.632500     -0.1125000      0.1762000    
 C   -6.952500      0.6667000     -0.9356000    
 H    2.558700      -3.162100     -0.1250000    
 H    1.301600      -3.145400      -1.344200    
 H    1.410400      -1.306100       1.116400    
 H  -0.3977000      -3.854400      0.3479000    
 H    3.742500       1.050700      -1.769500    
 H    5.095200       2.601900     -0.3250000    
 H    4.715200       1.632700       1.090900    
 H    3.411600     -0.5820000      0.7143000    
 H    2.272700       2.148700      0.7947000    
 H    2.654600       3.095700     -0.6450000    
 H   0.5566000      -2.901900       2.399400    
 H   0.4531000      -4.644600       2.594300    
 H    2.018200      -3.897900       2.239600    
 H    2.041800      -5.696600      0.2731000    
 H   0.3779000      -6.171800      0.6612000    
 H   0.7777000      -5.597700     -0.9645000    
 H  -0.7155000      -1.679000     -0.8866000    
 H    4.080300       4.620800      0.7593000    
 H    3.676400       3.669900       2.190500    
 H    5.228700      -1.145600      -1.208800    
 H    2.251100       5.685900       2.037800    
 H    1.255300       4.228500       1.880200    
 H    1.664500       5.184900      0.4424000    
 H   -3.048000      0.6526000       1.823500    
 H   -2.576300       1.839900      0.5911000    
 H   -3.966600       2.214500      -1.406300    
 H   -5.112300     -0.6685000       1.587400    
 H   -6.239600       2.109400      -2.367300    
 H   -7.381600     -0.7644000      0.6163000    
 H   -7.950800      0.6217000      -1.360900    


%chk=000073364-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000073364

0 1
O 3.091587 -1.152368 -1.321703
O -1.909810 -1.178031 1.036377
O 4.956252 2.353847 1.634011
O 0.079152 -0.549701 2.149537
N 2.437032 0.037870 0.576567
N 0.092361 -1.897134 0.234749
C 1.801423 -3.536989 -0.496458
C 1.532143 -2.238052 0.286906
C 1.068277 -4.795085 0.040319
C 3.234772 1.231922 0.251478
C 2.419514 2.542423 0.221066
C 2.422044 -1.072716 -0.246296
C 1.418408 2.621425 -0.950820
C 1.476952 -5.135660 1.493756
C 1.345646 -5.992695 -0.899663
C 0.699527 3.987868 -1.017988
C 4.439766 1.297203 1.204640
C -0.523541 -1.156546 1.209157
C -0.339769 4.066004 -2.156284
C -2.717151 -0.360355 2.011723
C -3.141924 0.956343 1.403731
C -2.290109 2.088815 1.476864
C -4.398153 1.076836 0.757662
C -2.688691 3.318706 0.908955
C -4.798789 2.306867 0.190058
C -3.943610 3.430669 0.265105
H 2.892876 -3.715999 -0.481941
H 1.546539 -3.368850 -1.561534
H 1.788579 -2.375318 1.355046
H -0.026268 -4.603973 0.032540
H 3.657628 1.030233 -0.759484
H 3.142496 3.378422 0.164409
H 1.885792 2.665294 1.185898
H 1.799113 0.045847 1.390683
H 0.665055 1.812767 -0.860415
H 1.953872 2.443818 -1.906414
H 1.194476 -4.338741 2.206008
H 0.984449 -6.066623 1.829554
H 2.571288 -5.287609 1.566546
H 2.426633 -6.230484 -0.921517
H 0.807664 -6.897249 -0.561462
H 1.028831 -5.774494 -1.936770
H -0.484130 -2.284919 -0.514007
H 1.454922 4.790121 -1.144307
H 0.200510 4.183038 -0.046287
H 4.840084 0.290410 1.491335
H -0.818724 5.061849 -2.199998
H -1.137210 3.312779 -2.014521
H 0.133777 3.876974 -3.138199
H -3.579781 -1.010052 2.228170
H -2.100647 -0.219957 2.915914
H -1.319410 1.997575 1.978987
H -5.062285 0.205624 0.699334
H -2.028156 4.190548 0.972844
H -5.772716 2.390590 -0.304658
H -4.252867 4.386614 -0.172006


