%chk=000178874.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178874

0 1
 O    2.041100       2.909500     -0.3841000    
 O    4.086200      -2.489800      0.2226000    
 O    3.681800       2.062300      0.9746000    
 O    4.912600     -0.3678000      0.4870000    
 O   -5.320300      0.5477000       1.512400    
 N   0.3682000     -0.9211000     -0.2516000    
 N    1.560100      -1.524700     -0.1062000    
 N   -4.425300      -1.208100      0.2139000    
 C   0.6665000      0.3744000     -0.1221000    
 C    2.038200      0.5963000      0.1041000    
 C  -0.8201000      -1.594900     -0.4786000    
 C  -0.3556000       1.388200     -0.2145000    
 C    2.593000     -0.6602000      0.1093000    
 C   -2.023900      -1.061600     -1.8100001E-02
 C   -3.220600      -1.741000     -0.2469000    
 C  -0.8129000      -2.807400      -1.168200    
 C    2.664700       1.873500      0.2835000    
 C   -1.107400       1.517200      -1.382300    
 C  -0.5923000       2.239400      0.8650000    
 C   -3.213300      -2.953500     -0.9364000    
 C   -2.009400      -3.486700      -1.396900    
 C    3.935200      -1.116100      0.2877000    
 C   -2.096200       2.497200      -1.470600    
 C   -1.581100       3.219300      0.7767000    
 C   -2.332900       3.348100     -0.3910000    
 C   -5.658300      -1.423700     -0.6049000    
 C   -4.524100     -0.3865000       1.389600    
 C    2.615300       4.214400     -0.2478000    
 C    5.407500      -3.015200      0.3929000    
 C   -3.624200     -0.7063000       2.561200    
 C    1.792500       5.201400      -1.048100    
 C    5.355300      -4.524500      0.2876000    
 H   -2.052400     -0.1518000      0.5620000    
 H   0.1101000      -3.242200      -1.543900    
 H  -0.9291000      0.8774000      -2.243700    
 H  -2.4000000E-02   2.150000       1.787800    
 H   -4.123000      -3.517200      -1.120500    
 H   -2.003400      -4.431600      -1.932400    
 H   -2.679400       2.599900      -2.381000    
 H   -1.766900       3.880700       1.617800    
 H   -3.102700       4.111200     -0.4598000    
 H   -6.448000     -0.7400000     -0.2814000    
 H   -5.435300      -1.238200      -1.659700    
 H   -6.009200      -2.448300     -0.4522000    
 H    3.644600       4.198900     -0.6221000    
 H    2.615700       4.502100      0.8092000    
 H    5.789700      -2.724200       1.377400    
 H    6.062400      -2.610500     -0.3865000    
 H   -2.846100      5.5199999E-02   2.654000    
 H   -3.174300      -1.698200       2.478500    
 H   -4.229000     -0.6993000       3.473800    
 H    2.207400       6.210100     -0.9707000    
 H   0.7569000       5.217200     -0.6931000    
 H    1.761600       4.910900      -2.103300    
 H    6.350500      -4.960000      0.4132000    
 H    4.956000      -4.829200     -0.6854000    
 H    4.688000      -4.940900       1.049400    


%chk=000178874-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178874

0 1
O 3.234835 2.581831 -0.533905
O 4.025095 -1.480079 -0.226069
O 1.583325 3.497978 0.833342
O 4.281846 0.385076 1.154112
O -6.468972 -1.884072 2.400592
N 0.013847 -0.525033 -0.164068
N 1.263503 -1.130570 -0.025979
N -4.700640 -1.511421 0.930091
C 0.080400 0.875960 -0.105619
C 1.446571 1.175817 0.098353
C -1.134413 -1.389815 -0.242561
C -1.067556 1.760025 -0.407428
C 2.129358 -0.088058 0.125098
C -2.341049 -1.037368 0.400123
C -3.455120 -1.905399 0.320570
C -1.007359 -2.623509 -0.923623
C 2.052437 2.522954 0.191870
C -1.866221 1.509204 -1.558989
C -1.376348 2.872137 0.420152
C -3.346445 -3.130758 -0.382924
C -2.118590 -3.489574 -0.981916
C 3.566921 -0.334158 0.415194
C -2.961085 2.342420 -1.864493
C -2.477939 3.700561 0.111563
C -3.275876 3.438457 -1.025574
C -5.381362 -0.319438 0.373461
C -5.323674 -2.222196 1.972417
C 4.057922 3.818055 -0.357235
C 5.444886 -1.856035 0.060559
C -4.558977 -3.392934 2.585404
C 5.408281 3.535018 -1.006339
C 5.731599 -3.118240 -0.745282
H -2.417585 -0.109891 0.973363
H -0.050230 -2.886554 -1.380594
H -1.618460 0.672081 -2.220709
H -0.744171 3.089044 1.285225
H -4.219354 -3.787015 -0.461328
H -2.031913 -4.442483 -1.514169
H -3.562026 2.143571 -2.758522
H -2.706669 4.554003 0.758675
H -4.127768 4.085617 -1.261930
H -6.294711 -0.155307 0.966191
H -4.731292 0.571488 0.433152
H -5.655392 -0.486842 -0.684403
H 4.140971 4.023328 0.724806
H 3.521417 4.659163 -0.832872
H 5.548409 -2.012460 1.149781
H 6.092814 -1.008648 -0.228836
H -3.466089 -3.252621 2.572943
H -4.788639 -4.330779 2.047736
H -4.909562 -3.508490 3.622509
H 6.066028 4.417405 -0.903138
H 5.292479 3.311484 -2.080830
H 5.895340 2.674471 -0.517326
H 6.772099 -3.446734 -0.568714
H 5.603001 -2.933142 -1.825315
H 5.052502 -3.935723 -0.449394


