%chk=000161918.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161918

0 1
 O   -5.965300     -0.5875000      0.1050000    
 O    6.110800     -0.3615000     -0.2150000    
 O   -4.969200       1.477300      8.9599997E-02
 N   -1.589200     -0.7496000     -1.0100000E-02
 N   -2.462100      0.2318000      1.7800000E-02
 N   0.6535000      -1.357800     -7.3799998E-02
 C   -2.034600      -1.996300     -5.5999998E-03
 C  -0.1995000     -0.3492000     -4.4199999E-02
 C   0.2060000       1.047300     -4.6799999E-02
 C   -3.399900      -1.850900      3.0900000E-02
 C   -3.605300     -0.4583000      4.3699998E-02
 C   -1.191500      -3.206200     -3.4000002E-02
 C   0.3673000       1.724400      -1.255600    
 C   0.4331000       1.710000       1.159400    
 C    2.035700      -1.106900     -0.1091000    
 C   0.7562000       3.064000      -1.258300    
 C   0.8219000       3.049700       1.156700    
 C   -4.859400      0.2389000      8.0200002E-02
 C    2.747700     -0.9916000       1.080600    
 C    2.681900     -0.9737000      -1.334300    
 C   0.9833000       3.726600     -5.2200001E-02
 C    4.772300     -0.6062000     -0.1802000    
 C    4.119300     -0.7405000       1.045100    
 C    4.053500     -0.7227000      -1.370000    
 C   -7.250400      4.3299999E-02  0.1422000    
 C    6.784000     -0.2542000       1.038400    
 H   -4.133900      -2.644200      4.5699999E-02
 H  -0.5507000      -3.284600      0.8499000    
 H   -1.829500      -4.098600     -2.1600001E-02
 H  -0.5986000      -3.275400     -0.9515000    
 H   0.1914000       1.218800      -2.201800    
 H   0.3089000       1.193200       2.107600    
 H   0.8817000       3.591100      -2.199500    
 H   0.9986000       3.565700       2.095800    
 H    2.246200      -1.096700       2.039000    
 H    2.129800      -1.064600      -2.265900    
 H    1.286000       4.769600     -5.4299999E-02
 H    4.615900     -0.6618000       2.006100    
 H    4.556500     -0.6191000      -2.327500    
 H   -7.394400      0.6579000     -0.7513000    
 H   -7.346900      0.6485000       1.048400    
 H   -8.013300     -0.7395000      0.1581000    
 H    6.414400      0.5957000       1.622100    
 H    7.839600     -5.8899999E-02  0.8227000    
 H    6.741000      -1.193600       1.600000    


%chk=000161918-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161918

0 1
O -6.025361 -0.688132 -0.039318
O 6.363354 -1.090445 -0.538608
O -5.222680 1.501859 -0.191290
N -1.520293 -0.621312 -0.002681
N -2.536101 0.334500 -0.109775
N 0.707005 -1.106018 -0.459048
C -2.023675 -1.934432 0.149400
C -0.150987 -0.188141 -0.100924
C 0.110062 1.260429 0.173938
C -3.413437 -1.798612 0.137891
C -3.684483 -0.399317 -0.023951
C -1.200600 -3.177088 0.316057
C 0.954955 1.984092 -0.707778
C -0.438282 1.917356 1.305934
C 2.120164 -0.994292 -0.432307
C 1.246833 3.341210 -0.460644
C -0.128984 3.269515 1.561675
C -4.998879 0.274642 -0.096067
C 2.852727 -0.385862 0.623693
C 2.843232 -1.645331 -1.473253
C 0.712052 3.986426 0.679074
C 4.965395 -1.022355 -0.434439
C 4.263103 -0.406075 0.632212
C 4.246427 -1.643041 -1.488202
C -7.398502 -0.140041 -0.106396
C 7.152689 -0.463821 0.524085
H -4.148727 -2.591955 0.238378
H -0.441021 -3.065732 1.109523
H -1.867229 -4.016620 0.577247
H -0.648552 -3.424068 -0.605706
H 1.369191 1.486439 -1.590648
H -1.112752 1.375806 1.976118
H 1.886811 3.894252 -1.156527
H -0.557636 3.767982 2.437710
H 2.318531 0.091006 1.451591
H 2.279222 -2.143524 -2.267998
H 0.939955 5.040706 0.872032
H 4.796682 0.057965 1.467112
H 4.807739 -2.126507 -2.293291
H -7.545813 0.411130 -1.050701
H -7.581529 0.543855 0.739900
H -8.055107 -1.019905 -0.054286
H 6.948234 0.622635 0.590389
H 8.201707 -0.626833 0.236736
H 6.957363 -0.938648 1.505544


