%chk=000131826.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131826

0 1
 O   -4.013600       1.746300      0.4869000    
 O  -0.3791000      -1.174500       1.147500    
 O   -1.771600      -2.357200       2.479600    
 O    3.607200       2.134800      -1.509700    
 O    3.963500      -2.231700      0.3330000    
 N   -2.317000      0.2374000      1.3700000E-02
 N   -3.391300       3.162500      -1.754600    
 C   -3.792500      -1.726600      0.2865000    
 C   -3.471500      -2.307500      -1.109500    
 C   -2.757400     -0.7876000      0.9240000    
 C   -2.324800       2.377700      -1.131700    
 C   -2.176000      -3.124000      -1.030900    
 C   -4.585500      -3.177600      -1.687000    
 C   -1.333900       3.312400     -0.4227000    
 C   -2.994900       1.441100     -0.1311000    
 C   -1.609400      -1.533100       1.586000    
 C  -0.1953000       2.568900      0.2354000    
 C   0.9758000       2.313100     -0.4777000    
 C  -0.3152000       2.139100       1.556900    
 C    2.027000       1.627300      0.1307000    
 C   0.7361000       1.453500       2.165500    
 C    1.907200       1.197500       1.452400    
 C    3.248300       1.359600     -0.6120000    
 C    4.061000      0.1279000     -0.2927000    
 C    3.512400      -1.189500     -0.4131000    
 C    5.345800      0.3013000      5.5799998E-02
 C    2.499000      -1.596800      -1.249200    
 C    2.315700      -2.978100      -1.001100    
 C    3.230100      -3.316400     -3.0800000E-02
 H   -4.011100      -2.552500      0.9763000    
 H   -4.732500      -1.165700      0.1888000    
 H   -3.312700      -1.479800      -1.811900    
 H   -3.251900     -0.2724000       1.759200    
 H   -1.815800       1.792200      -1.906600    
 H   -1.488100      5.8400001E-02 -0.5457000    
 H   -2.207100      -3.857400     -0.2183000    
 H   -2.010600      -3.673100      -1.965100    
 H   -1.302800      -2.481100     -0.8997000    
 H   -4.776400      -4.048900      -1.051400    
 H   -5.516700      -2.607000      -1.765900    
 H   -4.326500      -3.536200      -2.688800    
 H   -1.849900       3.912000      0.3403000    
 H  -0.9211000       4.037000      -1.137500    
 H   -2.987400       3.815300      -2.425400    
 H   -4.000200       2.545500      -2.291400    
 H    1.058500       2.644800      -1.510100    
 H   -1.218600       2.336900       2.127700    
 H   0.6438000       1.122500       3.195800    
 H    2.712100      0.6753000       1.961800    
 H   0.3337000      -1.663200       1.611600    
 H    5.779500       1.293900      0.1324000    
 H    6.003300     -0.5343000      0.2750000    
 H    1.952200     -0.9868000      -1.955000    
 H    1.605000      -3.643200      -1.469700    
 H    3.471700      -4.236600      0.4806000    


%chk=000131826-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131826

0 1
O -3.899477 1.601155 0.346406
O -0.324515 -1.554155 0.257263
O -1.468628 -2.650650 1.959957
O 3.667075 2.208162 -1.587437
O 4.562444 -1.990656 0.578612
N -2.249670 0.105742 -0.319314
N -3.337559 3.076397 -1.965352
C -3.898685 -1.748597 0.233705
C -3.870023 -2.391949 -1.175611
C -2.641974 -0.920030 0.658645
C -2.241919 2.383179 -1.287506
C -2.817067 -3.517920 -1.316388
C -5.282514 -2.931012 -1.510752
C -1.326811 3.340294 -0.414478
C -2.878302 1.326261 -0.364151
C -1.458635 -1.803590 1.044906
C -0.165676 2.631036 0.256803
C 1.035646 2.375128 -0.444202
C -0.278589 2.159233 1.594017
C 2.093293 1.637777 0.151403
C 0.774181 1.442811 2.204454
C 1.955144 1.166341 1.483983
C 3.365728 1.446508 -0.620965
C 4.324202 0.343590 -0.194671
C 3.801609 -1.018253 -0.121370
C 5.627520 0.663025 0.062363
C 2.684166 -1.639844 -0.675357
C 2.739824 -3.040458 -0.315796
C 3.888224 -3.213526 0.441965
H -4.058388 -2.528404 1.004293
H -4.751746 -1.047149 0.288484
H -3.629196 -1.593374 -1.907800
H -2.940369 -0.393359 1.588890
H -1.590832 1.885771 -2.035040
H -1.383366 -0.044982 -0.840724
H -2.976599 -4.304238 -0.553895
H -2.892283 -3.992775 -2.312253
H -1.783676 -3.142046 -1.208923
H -5.582640 -3.721352 -0.795533
H -6.040415 -2.127260 -1.466412
H -5.308593 -3.367968 -2.526029
H -1.984158 3.823124 0.332082
H -0.954076 4.127563 -1.098177
H -3.070242 3.912782 -2.489487
H -4.156721 3.202738 -1.360536
H 1.181763 2.755139 -1.462880
H -1.199254 2.362008 2.155545
H 0.673844 1.103505 3.241193
H 2.774483 0.616594 1.959069
H 0.466662 -2.071616 0.573985
H 5.971764 1.697745 -0.025309
H 6.353628 -0.099416 0.361760
H 1.933081 -1.152377 -1.293811
H 2.047059 -3.825966 -0.614148
H 4.351756 -4.065286 0.931622


