%chk=000163915.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163915

0 1
 O    1.547300      -1.650000       2.151900    
 O    1.623100       1.564100     -0.6829000    
 O   -1.650500      -2.200900      -1.643000    
 O   -1.618800       2.197000       1.734200    
 O    2.602400       3.632900     -0.9291000    
 O   -4.685500       1.158200       1.213600    
 N    3.582300      -2.049500      3.4600001E-02
 N   0.7032000      -1.451300     -6.9499999E-02
 N   -3.929700       1.547500      0.3136000    
 N    2.244800       2.264900      -2.742300    
 C    2.910400     -0.7932000      0.3778000    
 C    1.535800     -0.8246000      0.9854000    
 C    2.838500      -1.355000      -1.003500    
 C    1.424100      -1.755400      -1.303700    
 C   0.8593000      0.5384000       1.335000    
 C  -0.5161000     -0.7889000     -8.8299997E-02
 C  -0.5187000      0.3291000      0.7524000    
 C    1.513100       1.772000      0.7123000    
 C   -1.645700      -1.115600     -0.8222000    
 C   -1.647200       1.120400      0.9023000    
 C    2.269800      -1.037600       3.207700    
 C   -2.790000     -0.3262000     -0.6798000    
 C   -2.792400      0.7810000      0.1814000    
 C   -4.016300     -0.6890000      -1.463100    
 C    2.192700       2.580300      -1.407100    
 C   -2.035900      -3.448600      -1.068000    
 H    3.564300      2.7400000E-02  0.6172000    
 H    3.394400     -0.9044000      -1.809300    
 H    3.051900      -2.843400      0.3917000    
 H    1.051300      -1.167200      -2.150000    
 H    1.347800      -2.820000      -1.545700    
 H   0.7455000      0.7025000       2.408800    
 H    2.504900       1.934600       1.149700    
 H   0.9145000       2.671400      0.8966000    
 H    2.739900      -1.837200       3.789100    
 H    1.582500     -0.5237000       3.886100    
 H    3.061600     -0.3555000       2.884800    
 H  -0.7939000       2.203500       2.245700    
 H   -4.506800      0.2006000      -1.873100    
 H   -3.793000      -1.320900      -2.328700    
 H   -4.725200      -1.224900     -0.8235000    
 H   -1.320300      -3.751600     -0.2972000    
 H   -2.036400      -4.203400      -1.859100    
 H   -3.042000      -3.388600     -0.6414000    
 H    1.893300       1.378600      -3.088900    
 H    2.637300       2.907000      -3.422400    


%chk=000163915-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163915

0 1
O 1.490844 -1.587455 2.081067
O 1.290934 1.920022 -0.742314
O -1.611958 -2.187023 -1.758538
O -1.938325 2.132862 1.924390
O 3.582678 2.507626 -0.831567
O -4.505937 2.271138 1.139603
N 3.598812 -1.921498 0.144808
N 0.679292 -1.259511 -0.114703
N -4.338042 1.267648 0.340020
N 2.272355 2.233933 -2.762630
C 2.926832 -0.568020 0.312207
C 1.522082 -0.633610 0.927252
C 2.874283 -1.291409 -1.025631
C 1.427522 -1.707716 -1.317215
C 0.752980 0.680580 1.331239
C -0.599747 -0.713443 -0.086589
C -0.658531 0.370448 0.824213
C 1.314633 1.990802 0.734294
C -1.736205 -1.112643 -0.834339
C -1.857156 1.061168 1.027845
C 2.437031 -1.256657 3.158331
C -2.949248 -0.412701 -0.673181
C -3.029651 0.682766 0.268612
C -4.166346 -0.821586 -1.479777
C 2.495424 2.252947 -1.406398
C -1.756397 -3.515891 -1.119479
H 3.584592 0.281277 0.503597
H 3.513195 -1.007360 -1.865361
H 3.016530 -2.654826 0.601970
H 1.042751 -1.194756 -2.216735
H 1.332551 -2.797899 -1.478240
H 0.799857 0.787493 2.433937
H 2.349801 2.188414 1.066196
H 0.674082 2.847555 1.012704
H 2.282081 -2.028545 3.927712
H 2.235251 -0.260973 3.604985
H 3.484878 -1.289847 2.802810
H -1.110440 2.175891 2.471188
H -4.568476 0.035902 -2.044086
H -3.899936 -1.625931 -2.183303
H -4.984349 -1.159521 -0.820168
H -1.001403 -3.653118 -0.321391
H -1.602017 -4.252698 -1.922711
H -2.770128 -3.631305 -0.690755
H 1.335954 2.071593 -3.127032
H 3.038666 2.470675 -3.386738


