%chk=000176845.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176845

0 1
 O  -0.8968000       1.936800       1.049200    
 O   -1.967600      -2.711700     -0.3738000    
 O   0.2832000       2.785700     -0.7291000    
 N    1.346200       2.059000       1.201900    
 N   -4.077700       2.671500       1.999200    
 C    4.778800       1.443600     -0.3030000    
 C    3.339400       1.141500      0.1135000    
 C    5.405000      0.2597000      -1.039600    
 C    2.702500       2.335500      0.8142000    
 C    6.847600      0.5439000      -1.426200    
 C   -2.117400       2.139500      0.3283000    
 C   -2.406900      0.9177000     -0.5122000    
 C   0.2473000       2.306400      0.3994000    
 C   -2.048600     -0.3485000     -4.9500000E-02
 C   -2.316300      -1.476200     -0.8255000    
 C   -3.032600       1.056200      -1.751100    
 C   -2.942100      -1.337600      -2.064400    
 C   -3.300300     -7.1500003E-02  -2.527200    
 C  -0.7076000      -2.862500      0.1806000    
 C   -3.213300       2.435000       1.261900    
 C   0.4037000      -2.303800     -0.4508000    
 C  -0.5497000      -3.573200       1.370400    
 C    1.672800      -2.455700      0.1077000    
 C   0.7195000      -3.725100       1.928800    
 C    1.830800      -3.166400       1.297500    
 H    4.797400       2.328300     -0.9512000    
 H    5.374800       1.682100      0.5864000    
 H    3.321800      0.2720000      0.7820000    
 H    2.746800      0.8715000     -0.7696000    
 H    5.373000     -0.6332000     -0.4043000    
 H    4.826500      3.5200000E-02  -1.943400    
 H    2.712400       3.212800      0.1578000    
 H    3.255900       2.585700       1.725500    
 H    6.912400       1.413900      -2.087400    
 H    7.460200      0.7388000     -0.5403000    
 H    7.275300     -0.3153000      -1.952400    
 H    1.183000       1.649200       2.116700    
 H   -2.015200       3.015600     -0.3263000    
 H   -1.594300     -0.4562000      0.9324000    
 H   -3.317800       2.036700      -2.123000    
 H   -3.152900      -2.212400      -2.673400    
 H   -3.787600      3.6200002E-02  -3.491800    
 H   0.3127000      -1.763700      -1.389400    
 H   -1.411800      -4.010100       1.866600    
 H    2.538900      -2.026500     -0.3874000    
 H   0.8425000      -4.278600       2.855100    
 H    2.819200      -3.285500       1.731500    


%chk=000176845-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176845

0 1
O -0.890399 2.082400 1.131138
O -1.896702 -2.720427 -0.509032
O 0.200592 3.175842 -0.667784
N 1.379034 2.202365 1.126638
N -4.097647 2.530806 2.178955
C 4.852838 1.598977 -0.502321
C 3.425390 1.273268 -0.009829
C 5.554917 0.387352 -1.157944
C 2.738372 2.495715 0.642250
C 6.976443 0.718268 -1.660842
C -2.159113 2.216556 0.370587
C -2.396212 0.996876 -0.523564
C 0.260890 2.547242 0.417734
C -2.007285 -0.283533 -0.070888
C -2.217771 -1.400394 -0.907702
C -3.007768 1.155758 -1.788356
C -2.847167 -1.262721 -2.164846
C -3.243912 0.020476 -2.596760
C -0.736454 -2.982384 0.267786
C -3.218568 2.389593 1.386053
C 0.474284 -2.269300 0.100356
C -0.823243 -4.074467 1.158109
C 1.606216 -2.658460 0.850970
C 0.317978 -4.453037 1.898410
C 1.535380 -3.746545 1.752212
H 4.808787 2.433271 -1.232683
H 5.468217 1.959999 0.348443
H 3.467073 0.439364 0.722050
H 2.804603 0.927152 -0.859706
H 5.604570 -0.445462 -0.426611
H 4.937097 0.023332 -2.003665
H 2.652682 3.315314 -0.092310
H 3.346006 2.864235 1.490996
H 6.950751 1.523356 -2.419058
H 7.622493 1.060317 -0.830351
H 7.457409 -0.163743 -2.121607
H 1.246189 1.657442 1.979999
H -2.096688 3.127648 -0.257216
H -1.540015 -0.399675 0.911366
H -3.289888 2.153363 -2.142555
H -3.007266 -2.152695 -2.780275
H -3.722084 0.137324 -3.574758
H 0.536150 -1.438017 -0.609083
H -1.773977 -4.607021 1.254521
H 2.548989 -2.115551 0.716539
H 0.254104 -5.299601 2.590650
H 2.417807 -4.044277 2.328285


