%chk=000157576.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157576

0 1
 O    3.692100      -2.380000      -1.136100    
 O   0.3604000      -2.158700      0.5379000    
 O    2.190800     -0.7556000      -1.774400    
 N   -1.934700       2.036600      0.1336000    
 N    2.539800       1.550900     -0.2528000    
 N   -4.344000      0.6705000     -0.1141000    
 C  -0.7070000       2.794500      0.2574000    
 C   3.9700001E-02   2.819200      -1.083000    
 C    1.380300       3.556600     -0.9957000    
 C    2.285500       2.935900      6.4599998E-02
 C   -1.051900       4.207900      0.7157000    
 C   -1.987400      0.6547000      0.1692000    
 C    3.290800      0.7274000      0.5216000    
 C    3.549400     -0.5435000      0.2098000    
 C    4.381200      -1.518800      0.9486000    
 C   -3.209500     -3.7200000E-02  4.4000000E-02
 C    4.747500      -2.468000     -0.1669000    
 C  -0.7923000     -8.2199998E-02  0.3355000    
 C   -3.211600      -1.447200      8.7600000E-02
 C    3.836500       1.329800       1.785800    
 C    3.040500      -1.186400      -1.016500    
 C  -0.8018000      -1.470800      0.3775000    
 C   -2.008300      -2.153800      0.2539000    
 C   -4.440100      -2.109200     -3.9299998E-02
 C   -5.610800      -1.382800     -0.2023000    
 C   -5.508900     -6.8000001E-03 -0.2328000    
 C   0.2738000      -3.583000      0.5714000    
 H  -0.1055000       2.365500       1.063100    
 H   0.1886000       1.808200      -1.476300    
 H  -0.5807000       3.324300      -1.836100    
 H    1.869500       3.502900      -1.976600    
 H    1.232000       4.620800     -0.7847000    
 H    3.232100       3.490500      5.3199999E-02
 H    1.861000       3.060600       1.064600    
 H   -2.795700       2.532900     -6.9899999E-02
 H  -0.1587000       4.785600      0.9706000    
 H   -1.682800       4.179800       1.612000    
 H   -1.607700       4.755000     -5.4200001E-02
 H    2.221300       1.190600      -1.145500    
 H    5.280000      -1.113000       1.418600    
 H    3.774100      -2.028900       1.704300    
 H    5.688700      -2.192800     -0.6567000    
 H    4.827800      -3.499700      0.1885000    
 H   0.1714000      0.3991000      0.4462000    
 H    4.514800       2.160200       1.561600    
 H    4.400200      0.6233000       2.401400    
 H    3.025800       1.696200       2.425100    
 H   -2.075300      -3.237400      0.2794000    
 H   -4.492600      -3.195200     -1.1900000E-02
 H   -6.569200      -1.878500     -0.3020000    
 H   -6.390400      0.6134000     -0.3579000    
 H    1.291700      -3.964000      0.7048000    
 H  -0.3127000      -3.930700       1.428400    
 H  -9.5799997E-02  -3.985800     -0.3776000    


%chk=000157576-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157576

0 1
O 3.761270 -2.383116 -0.943089
O 0.537152 -2.317508 0.085442
O 3.004005 -0.472578 -2.064400
N -1.774251 1.923579 0.316117
N 2.766416 1.727305 -0.430181
N -4.177892 0.700860 0.297099
C -0.588708 2.789991 0.259381
C 0.017406 2.819169 -1.176144
C 1.355805 3.585748 -1.325183
C 2.475437 3.163348 -0.341547
C -0.977924 4.194632 0.763377
C -1.762285 0.544572 0.267066
C 3.208417 0.915010 0.593988
C 3.520335 -0.423148 0.342833
C 3.895542 -1.506998 1.337575
C -3.064861 -0.113829 0.251567
C 4.350055 -2.662404 0.400937
C -0.603971 -0.251921 0.225542
C -3.138084 -1.554318 0.181974
C 3.313979 1.505605 1.985489
C 3.386011 -1.007911 -0.981634
C -0.707528 -1.673802 0.148284
C -1.943332 -2.338364 0.125047
C -4.454547 -2.123789 0.170229
C -5.579022 -1.293340 0.221340
C -5.397289 0.122033 0.282859
C 0.556019 -3.734996 -0.288240
H 0.170401 2.364353 0.950468
H 0.152821 1.776203 -1.516750
H -0.730771 3.272999 -1.856202
H 1.720682 3.450016 -2.363104
H 1.197043 4.674392 -1.195865
H 3.384280 3.764246 -0.565481
H 2.179924 3.415433 0.692721
H -2.716800 2.331504 0.319466
H -0.105246 4.870069 0.778364
H -1.390438 4.144558 1.786903
H -1.742205 4.647074 0.102562
H 2.721309 1.259733 -1.356500
H 4.708851 -1.226979 2.031582
H 3.019914 -1.815952 1.941287
H 5.448445 -2.687836 0.278514
H 3.988203 -3.653879 0.716231
H 0.400109 0.177999 0.209769
H 3.966418 2.398003 2.000724
H 3.726440 0.767111 2.688011
H 2.320980 1.812973 2.367229
H -2.014894 -3.428194 0.067851
H -4.566186 -3.213397 0.119262
H -6.591460 -1.709547 0.212772
H -6.261066 0.795662 0.320183
H 1.613547 -3.955624 -0.494240
H 0.175034 -4.372326 0.534037
H -0.041589 -3.909523 -1.202921


