%chk=000170622.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170622

0 1
 O    2.179700       1.046200       1.534000    
 O    1.442500      -1.171200      -1.699900    
 O  -0.5225000     -0.6205000      -2.775300    
 O    2.275200      -2.533200      0.5836000    
 O   -3.839100      0.2413000     -0.8686000    
 N   0.5697000       1.968800     -0.5807000    
 N   -3.006400     -0.8613000       1.041800    
 C    1.729500       1.689600      -1.395700    
 C   9.1799997E-02   1.038400      0.3519000    
 C  -9.9299997E-02   3.260900     -0.7362000    
 C    1.328200      0.9586000      -2.672100    
 C   0.9034000      0.5874000       1.400300    
 C   -1.215100      0.5484000      0.2394000    
 C   0.4978000       4.276400      0.2189000    
 C   -1.703000     -0.3782000       1.161000    
 C   0.4155000     -0.3391000       2.321700    
 C   0.6113000     -0.3480000      -2.405800    
 C  -0.8877000     -0.8219000       2.202100    
 C   0.9083000      -2.460100      -1.380500    
 C    2.368000       2.214300       2.330000    
 C   -3.964400     -0.5359000      7.2400004E-02
 C    1.945300      -3.246500     -0.6021000    
 C   -5.258500      -1.278000      0.2939000    
 C    3.230000      -3.236700       1.365800    
 H    2.232100       2.624800      -1.672200    
 H    2.482100       1.100900     -0.8614000    
 H   2.0900000E-02   3.620500      -1.765300    
 H   -1.179000       3.184200     -0.5648000    
 H    2.206100      0.7508000      -3.293900    
 H   0.6558000       1.586500      -3.269100    
 H   -1.800000      0.9161000     -0.5924000    
 H   4.6399999E-02   5.259700      5.1300000E-02
 H    1.578600       4.374500      7.8100003E-02
 H   0.3079000       3.999800       1.259800    
 H    1.045800     -0.6906000       3.134100    
 H   -1.254100      -1.544500       2.926800    
 H   -3.286900      -1.533600       1.752700    
 H   0.6504000      -2.991600      -2.303000    
 H   9.4999997E-03  -2.326000     -0.7686000    
 H    3.085000       1.978700       3.121600    
 H    2.791100       3.003800       1.704100    
 H    1.439600       2.565600       2.792500    
 H    2.852100      -3.362300      -1.206800    
 H    1.549800      -4.235800     -0.3470000    
 H   -5.084700      -2.354800      0.2152000    
 H   -5.990900     -0.9797000     -0.4614000    
 H   -5.656200      -1.043000       1.285200    
 H    4.159200      -3.375200      0.8047000    
 H    3.446600      -2.643600       2.258400    
 H    2.830000      -4.205800       1.679300    


%chk=000170622-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170622

0 1
O 2.101558 0.897957 2.024660
O 1.869772 -1.070281 -1.551212
O -0.012287 -0.321560 -2.708001
O 2.469017 -3.179040 0.519536
O -4.144125 0.782625 -0.342372
N 0.552074 2.131316 -0.144518
N -3.262523 -0.751642 1.205989
C 1.877656 1.888559 -0.759990
C -0.003241 1.112025 0.680259
C -0.383306 3.003090 -0.900105
C 1.828414 1.243009 -2.184069
C 0.766336 0.502602 1.728677
C -1.355227 0.697608 0.520204
C 0.245650 4.349735 -1.304483
C -1.908554 -0.313360 1.340348
C 0.222723 -0.541422 2.498233
C 1.111364 -0.093470 -2.201530
C -1.109291 -0.960831 2.318090
C 1.224146 -2.404566 -1.403151
C 2.203239 2.254562 2.604632
C -4.283911 -0.221486 0.419229
C 2.281088 -3.380082 -0.917145
C -5.621439 -0.953813 0.537192
C 3.588630 -3.954729 1.045150
H 2.423086 2.846551 -0.851255
H 2.457145 1.239260 -0.085898
H -0.781242 2.489430 -1.804078
H -1.248952 3.202224 -0.243838
H 2.874246 1.098658 -2.512873
H 1.319978 1.905900 -2.904237
H -1.983359 1.123805 -0.261677
H -0.530826 4.991415 -1.758523
H 1.054937 4.235919 -2.048160
H 0.655352 4.874440 -0.422415
H 0.862769 -1.000108 3.257878
H -1.524325 -1.763793 2.939523
H -3.513098 -1.554146 1.787084
H 0.808188 -2.707980 -2.381130
H 0.400429 -2.318576 -0.672487
H 3.279573 2.434215 2.753098
H 1.775498 3.010402 1.919259
H 1.676402 2.294463 3.577588
H 3.231462 -3.213750 -1.470360
H 1.937609 -4.421834 -1.115042
H -5.906977 -1.338276 -0.457368
H -6.398087 -0.232082 0.843405
H -5.613673 -1.794303 1.253495
H 4.545604 -3.669864 0.557686
H 3.645431 -3.721609 2.119735
H 3.432468 -5.048069 0.912766


