%chk=000147926.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147926

0 1
 O   -2.017500      0.9986000      0.6583000    
 O    2.880700       1.833600     -0.5878000    
 O   -3.954400      0.4687000      -2.890600    
 O    2.109800      -2.051600      -1.556400    
 O   -2.242000       1.285000      -1.777500    
 O    1.469400      5.2600000E-02  -1.537200    
 N   -3.325100      0.6564000      -1.823400    
 N    2.303600     -0.8456000      -1.276800    
 N   -7.428600      -2.344500       1.651300    
 N    7.840900      -1.848700       1.223300    
 N   -7.492200      -1.990900     -0.6578000    
 N    6.388200      -3.418300      0.2814000    
 C   0.4341000       2.537900      0.8818000    
 C  -0.9705000       3.137900      0.9049000    
 C    1.459000       3.542600      0.3473000    
 C   -1.989400       2.161100       1.474600    
 C    2.863400       2.954500      0.2842000    
 C   -3.203400      0.3136000      0.5979000    
 C    3.786400      0.8436000     -0.3058000    
 C   -3.862400      0.1351000     -0.6141000    
 C    3.520100     -0.4809000     -0.6367000    
 C   -3.736800     -0.2021000       1.774800    
 C    4.980500       1.190000      0.3183000    
 C   -5.067700     -0.5661000     -0.6498000    
 C    4.457800      -1.470100     -0.3400000    
 C   -5.607500      -1.085500      0.5268000    
 C    5.656900      -1.129200      0.2859000    
 C   -4.942000     -0.9036000       1.739100    
 C    5.918300      0.2009000      0.6149000    
 C   -6.864700      -1.815600      0.4917000    
 C    6.635100      -2.159400      0.5974000    
 H   0.7209000       2.230800       1.894900    
 H   0.4356000       1.637200      0.2615000    
 H  -0.9751000       4.054100       1.506600    
 H   -1.258300       3.412300     -0.1170000    
 H    1.156200       3.849800     -0.6613000    
 H    1.467800       4.439100      0.9779000    
 H   -1.715500       1.878400       2.497300    
 H   -2.972600       2.648300       1.497800    
 H    3.150900       2.686400       1.309300    
 H    3.555400       3.714300     -9.6799999E-02
 H   -3.224500     -7.6200001E-02   2.724600    
 H    5.240900       2.215400      0.5623000    
 H   -5.590900     -0.7110000      -1.591600    
 H    4.259700      -2.508300     -0.5939000    
 H   -5.315400      -1.287600       2.681900    
 H    6.836500      0.5213000       1.094600    
 H   -7.015600      -2.256600       2.571300    
 H   -8.305900      -2.852600       1.606000    
 H    8.109300     -0.9126000       1.499700    
 H    8.511600      -2.581500       1.430600    
 H   -8.349800      -2.524900     -0.4785000    
 H    7.188900      -3.987600      0.5773000    


%chk=000147926-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147926

0 1
O -2.598535 1.926365 0.380745
O 2.621019 1.416864 0.140527
O -3.260889 -0.221105 -2.991262
O 2.038362 -2.376193 -1.048628
O -2.999440 1.935954 -2.302160
O 1.147368 -0.868039 0.411245
N -3.365639 0.715760 -2.105739
N 2.139503 -1.374517 -0.238296
N -6.969331 -2.766860 1.458684
N 8.277589 -1.796317 0.019871
N -7.279817 -2.309838 -0.904673
N 6.674246 -3.575202 0.409980
C 0.280317 2.711128 1.176976
C -1.032741 3.522236 1.261533
C 1.390930 3.478872 0.425803
C -2.243492 2.657270 1.622301
C 2.770757 2.830885 0.559157
C -3.630660 1.009565 0.409546
C 3.706062 0.569359 0.239993
C -3.993173 0.356634 -0.811611
C 3.496939 -0.823022 -0.011041
C -4.334328 0.640519 1.585650
C 5.028854 0.994407 0.528251
C -4.973190 -0.649455 -0.837950
C 4.567034 -1.731880 -0.029887
C -5.654867 -1.023711 0.341319
C 5.884636 -1.297279 0.239403
C -5.329471 -0.354840 1.548217
C 6.095206 0.074008 0.531973
C -6.700240 -2.094141 0.258914
C 6.990125 -2.309471 0.224371
H 0.625767 2.458153 2.201085
H 0.100979 1.752004 0.660605
H -0.935208 4.329838 2.014968
H -1.248164 4.009154 0.291059
H 1.120735 3.553599 -0.644587
H 1.475924 4.516166 0.811793
H -1.996831 1.932559 2.425138
H -3.113957 3.269212 1.932677
H 3.124968 2.850160 1.610579
H 3.517176 3.332931 -0.089389
H -4.105947 1.131806 2.534823
H 5.229042 2.046363 0.747452
H -5.229394 -1.142997 -1.779157
H 4.389772 -2.791777 -0.231735
H -5.878715 -0.580021 2.469435
H 7.094143 0.434445 0.802449
H -6.332953 -2.709560 2.251073
H -7.695094 -3.480230 1.487527
H 8.423574 -0.851513 -0.329178
H 9.081125 -2.421037 0.039243
H -7.964384 -3.093511 -0.894542
H 7.484406 -4.225201 0.349970


