%chk=000162229.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162229

0 1
 O   -5.578800       1.801200     -0.2075000    
 O   -5.888900     -0.5259000       1.278300    
 N   0.6950000     -0.8530000     -0.4568000    
 N    8.249700      0.5552000       1.131000    
 C   0.1374000      0.4630000     -0.8083000    
 C  -0.1365000      -1.596300      0.5038000    
 C   -1.126600      0.3846000      -1.671400    
 C   -1.458200      -2.099900     -8.6599998E-02
 C   -2.380100      0.1295000     -0.8745000    
 C   -2.537100      -1.047900     -0.1228000    
 C    2.044100     -0.6808000      9.5200002E-02
 C    2.982400     -5.4200001E-02 -0.9369000    
 C   -3.417100       1.076600     -0.8930000    
 C   -3.727200      -1.252100      0.5943000    
 C   -4.591600      0.8633000     -0.1728000    
 C   -4.746700     -0.3012000      0.5710000    
 C    4.378200      0.1076000     -0.3897000    
 C    4.720800       1.280600      0.2652000    
 C    5.295500     -0.9199000     -0.5497000    
 C    6.011600       1.429900      0.7723000    
 C    6.586400     -0.7708000     -4.2599998E-02
 C    6.944500      0.4042000      0.6185000    
 C   -5.523700       2.815000      0.7888000    
 C   -6.932700      -1.208600      0.5943000    
 H   0.8192000       1.028000      -1.443600    
 H  -3.5500001E-02   1.073400      8.8200003E-02
 H  -0.3110000      -1.011000       1.416600    
 H   0.4164000      -2.495300      0.8080000    
 H   -1.025700     -0.3782000      -2.454300    
 H   -1.230800       1.338000      -2.206600    
 H   -1.798700      -2.944300      0.5270000    
 H   -1.311400      -2.511600      -1.093400    
 H    2.018500     -7.1699999E-02   1.009200    
 H    2.453000      -1.659600      0.3795000    
 H    2.681400      0.9448000      -1.262500    
 H    3.013400     -0.6697000      -1.846000    
 H   -3.309300       1.990300      -1.473700    
 H   -3.861500      -2.160000       1.178600    
 H    4.001200       2.084300      0.3933000    
 H    5.025300      -1.839300      -1.061200    
 H    6.278300       2.350000       1.286100    
 H    7.304000      -1.577500     -0.1684000    
 H   -6.374000       3.486900      0.6421000    
 H   -4.600800       3.396700      0.6968000    
 H   -5.594000       2.379100       1.790500    
 H   -7.258800     -0.6404000     -0.2828000    
 H   -7.781000      -1.310600       1.276800    
 H   -6.606600      -2.209300      0.2927000    
 H    8.926200     -0.1883000       1.020400    
 H    8.509700       1.406700       1.610900    


%chk=000162229-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000162229

0 1
O -5.804572 1.720872 -0.336040
O -6.017181 -0.756328 1.227010
N 0.754358 -0.568818 -0.312792
N 8.546941 0.366475 1.073498
C 0.115863 0.714290 -0.700269
C -0.057196 -1.378281 0.631522
C -1.139673 0.553871 -1.598856
C -1.351596 -1.959584 0.001751
C -2.421404 0.206881 -0.856917
C -2.521042 -0.991839 -0.089843
C 2.151494 -0.373276 0.158847
C 3.159169 -0.150333 -1.003383
C -3.529138 1.084994 -0.905669
C -3.733526 -1.279263 0.579572
C -4.730294 0.802656 -0.221525
C -4.842166 -0.409546 0.512757
C 4.585454 -0.007627 -0.494198
C 5.091625 1.244301 -0.058256
C 5.446051 -1.130457 -0.388766
C 6.395032 1.378446 0.459953
C 6.752903 -1.018256 0.126643
C 7.250365 0.243547 0.562850
C -6.210106 2.349907 0.941909
C -7.205095 -0.984067 0.372199
H 0.865071 1.291853 -1.271137
H -0.152281 1.325814 0.199457
H -0.327125 -0.805422 1.555577
H 0.575173 -2.228989 0.947776
H -0.899930 -0.221660 -2.353983
H -1.292063 1.502832 -2.146468
H -1.659534 -2.834187 0.605030
H -1.075924 -2.338006 -1.003372
H 2.238102 0.475148 0.883551
H 2.461190 -1.283572 0.706142
H 2.872027 0.753083 -1.575385
H 3.068963 -1.009001 -1.694073
H -3.476110 2.019094 -1.476131
H -3.844416 -2.199766 1.163576
H 4.454990 2.135636 -0.133367
H 5.088205 -2.112777 -0.723476
H 6.758990 2.362086 0.783118
H 7.396301 -1.905200 0.188466
H -7.072123 2.988622 0.694788
H -5.383932 2.970292 1.339120
H -6.494380 1.584949 1.687022
H -7.428447 -0.092132 -0.240771
H -8.032600 -1.192686 1.067778
H -7.037702 -1.857955 -0.286112
H 9.157184 -0.441786 1.144555
H 8.902007 1.266668 1.380622


