%chk=000168892.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168892

0 1
 O   -3.106900      0.8069000       1.739600    
 O  -0.3848000      -1.236400      0.7647000    
 O   -1.879000      -1.488700       2.501100    
 O    3.869800     -0.4363000      -1.635200    
 N    4.559600     -0.2967000     -0.4497000    
 C   -1.342400       1.175200      0.1834000    
 C  -0.3903000       1.667200       1.281900    
 C   -2.096800       2.350600     -0.4526000    
 C   -2.321800      0.1438000      0.7407000    
 C   0.5645000       2.739200      0.7615000    
 C   -1.139000       3.421200     -0.9702000    
 C  -0.1885000       3.901600      0.1221000    
 C   -3.306100     -0.4625000     -0.2553000    
 C   -1.529700     -0.9537000       1.455700    
 C   -4.479600      0.2094000     -0.5205000    
 C   -2.988000      -1.661600     -0.8554000    
 C   -5.379300     -0.3452000      -1.430900    
 C   -3.887800      -2.215900      -1.765700    
 C   -5.083300      -1.557800      -2.053400    
 C   0.4505000      -2.245900       1.339500    
 C    6.017800     -7.3399998E-02 -0.7701000    
 C    4.027000      0.9177000      0.2716000    
 C    4.392200      -1.508000      0.3830000    
 C    6.579100      -1.255000      -1.526100    
 C    4.198300       2.154500     -0.5793000    
 C    1.848100      -1.982600      0.9990000    
 C    2.996300      -1.767900      0.7205000    
 H  -0.7387000      0.7203000     -0.6154000    
 H   0.2250000      0.8697000       1.706300    
 H  -0.9609000       2.094200       2.116700    
 H   -2.781100       2.816000      0.2671000    
 H   -2.693100       2.017700      -1.307800    
 H    1.193300       3.108600       1.579200    
 H    1.230200       2.294400      1.4200000E-02
 H  -0.5570000       3.016800      -1.807700    
 H   -1.710800       4.270700      -1.360600    
 H  -0.7580000       4.435600      0.8927000    
 H   0.5268000       4.616500     -0.3000000    
 H   -3.746400      0.1700000       2.103300    
 H   -4.736500       1.154900     -5.3700000E-02
 H   -2.067600      -2.203200     -0.6786000    
 H   -6.310000      0.1674000      -1.655900    
 H   -3.656300      -3.158300      -2.253800    
 H   -5.783300      -1.988900      -2.763100    
 H   0.1384000      -3.214100      0.9342000    
 H   0.3525000      -2.278100       2.430600    
 H    6.547500      0.1067000      0.1709000    
 H    6.091300      0.8004000      -1.421400    
 H    4.560800       1.000400       1.224300    
 H    2.963300      0.7471000      0.4563000    
 H    5.005300      -1.372800       1.280600    
 H    4.766600      -2.363100     -0.1862000    
 H    7.555900     -0.9875000      -1.944400    
 H    6.754300      -2.114400     -0.8717000    
 H    5.945500      -1.577200      -2.357800    
 H    3.614200       2.974400     -0.1465000    
 H    5.234200       2.506800     -0.5933000    
 H    3.859300       2.024100      -1.611000    


%chk=000168892-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168892

0 1
O -2.741362 0.612421 2.090557
O -0.591601 -1.538223 0.051938
O -1.249631 -1.593087 2.287424
O 4.885509 -1.427090 -1.464055
N 4.783282 -0.512352 -0.401674
C -1.376483 1.281564 0.158339
C -0.161620 1.659288 1.041992
C -2.260165 2.524077 -0.116322
C -2.219491 0.128962 0.810648
C 0.661964 2.809534 0.413873
C -1.433746 3.670874 -0.746864
C -0.220806 4.048113 0.134336
C -3.384207 -0.333278 -0.099365
C -1.312824 -1.085369 1.139881
C -4.715342 -0.238905 0.371338
C -3.147567 -0.825076 -1.409009
C -5.795074 -0.634547 -0.450406
C -4.227682 -1.217774 -2.229483
C -5.556762 -1.125903 -1.753779
C 0.366451 -2.681656 0.302567
C 6.183896 0.064489 -0.027642
C 3.825967 0.660089 -0.762834
C 4.214131 -1.233314 0.877247
C 7.205966 -1.049259 0.207721
C 4.200948 1.302491 -2.099505
C 1.719197 -2.178869 0.526695
C 2.867742 -1.754013 0.671021
H -1.001044 0.892747 -0.810520
H 0.493179 0.777839 1.196958
H -0.536802 1.969432 2.036485
H -2.701951 2.861001 0.841458
H -3.099999 2.253086 -0.783304
H 1.502101 3.079811 1.084279
H 1.110736 2.461228 -0.541072
H -1.071923 3.356860 -1.748639
H -2.082261 4.554290 -0.904751
H -0.584227 4.461025 1.097818
H 0.376518 4.843388 -0.353139
H -2.511151 -0.068678 2.782612
H -4.884791 0.158505 1.375829
H -2.122858 -0.916192 -1.783959
H -6.820948 -0.555071 -0.072819
H -4.031378 -1.597711 -3.238588
H -6.393786 -1.432862 -2.391074
H 0.303858 -3.280461 -0.620288
H -0.004017 -3.261596 1.167030
H 6.068618 0.740085 0.842021
H 6.474015 0.654777 -0.910301
H 3.825454 1.380385 0.078686
H 2.833584 0.187166 -0.836518
H 4.241884 -0.528515 1.731479
H 4.920190 -2.059752 1.055644
H 8.227928 -0.633871 0.160107
H 7.091900 -1.545224 1.187990
H 7.082098 -1.793564 -0.599077
H 3.355207 1.912000 -2.464743
H 5.085418 1.960243 -2.035007
H 4.398359 0.491244 -2.821838


