%chk=000077161.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077161

0 1
 O   0.3591000      -1.196800      0.1921000    
 O   0.7150000       2.756500     -0.3437000    
 O   -5.965100      0.8067000     -0.2125000    
 N    4.003100     -0.2986000     -0.1319000    
 N    1.608900      0.9944000      0.8717000    
 N   -4.421000     -0.9714000     -9.8800004E-02
 C    3.848500       1.155100     -8.9699998E-02
 C    4.456100     -0.7264000      -1.454800    
 C    4.941600     -0.7427000      0.8981000    
 C    2.920600       1.555600       1.047800    
 C    5.822700     -0.1479000      -1.780800    
 C    5.068000      -2.256600      0.9096000    
 C   0.5983000       1.651400      0.1795000    
 C  -0.7090000      0.9493000      0.1086000    
 C  -0.7746000     -0.4441000      0.1173000    
 C   -1.880600       1.702300      3.1099999E-02
 C   -3.183500     -0.3313000     -2.8999999E-02
 C   -2.011900      -1.084400      4.8599999E-02
 C   -3.117700       1.061900     -3.7700001E-02
 C   -5.693000     -0.3891000     -0.1818000    
 C   0.1967000      -2.613400      0.1952000    
 C   -6.782200      -1.430700     -0.2389000    
 H    4.806300       1.675200      3.5200000E-02
 H    3.403400       1.520600      -1.024900    
 H    2.836400       2.648300       1.073500    
 H    3.288700       1.244100       2.029400    
 H    4.463600      -1.816900      -1.555000    
 H    3.734400     -0.3908000      -2.211000    
 H    5.930400     -0.2746000      0.8360000    
 H    4.550500     -0.4710000       1.885200    
 H    1.429300      9.2299998E-02   1.300700    
 H    5.855800      0.9446000      -1.750600    
 H    6.624100     -0.5474000      -1.153300    
 H    6.081500     -0.4282000      -2.809300    
 H    4.087300      -2.744900      0.9014000    
 H    5.659300      -2.636000      7.1000002E-02
 H    5.581100      -2.574500       1.824300    
 H   -1.850300       2.788900      2.8000001E-02
 H   -2.125700      -2.163500      5.1399998E-02
 H   -3.980000       1.711500     -9.4200000E-02
 H   -4.386300      -1.988600     -8.7300003E-02
 H  -0.3540000      -2.955700       1.078100    
 H  -0.2451000      -2.972300     -0.7406000    
 H    1.198900      -3.050300      0.2593000    
 H   -6.735800      -2.065500      0.6505000    
 H   -6.658200      -2.046000      -1.134300    
 H   -7.760200     -0.9428000     -0.2751000    


%chk=000077161-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077161

0 1
O 0.382622 -1.085922 -0.150779
O 0.452927 3.015816 0.994273
O -6.113227 0.654815 0.353267
N 4.161558 -0.232604 -0.195209
N 1.729007 1.166141 0.413555
N -4.504977 -1.000854 -0.094941
C 4.078993 1.249265 -0.314706
C 4.695943 -0.887139 -1.420524
C 4.792807 -0.674695 1.077086
C 3.003038 1.857790 0.608592
C 6.184015 -0.604014 -1.764463
C 4.605126 -2.176166 1.363268
C 0.522474 1.791955 0.628444
C -0.740313 0.986008 0.412095
C -0.828869 -0.391667 0.042487
C -1.960940 1.676992 0.607182
C -3.283708 -0.291356 0.086600
C -2.081651 -1.021201 -0.117266
C -3.223013 1.077017 0.453673
C -5.817939 -0.533238 0.036845
C 0.346306 -2.500176 -0.520682
C -6.893859 -1.584379 -0.234719
H 5.052266 1.753755 -0.098733
H 3.811451 1.481777 -1.362505
H 2.865427 2.930393 0.382574
H 3.316720 1.805065 1.672647
H 4.549373 -1.978695 -1.320958
H 4.059938 -0.562703 -2.266475
H 5.881903 -0.420657 1.111863
H 4.315787 -0.103085 1.893786
H 1.761147 0.174415 0.141564
H 6.366447 0.476209 -1.909053
H 6.863987 -0.963765 -0.971016
H 6.460010 -1.121159 -2.702204
H 3.532995 -2.440768 1.317219
H 5.153752 -2.813179 0.646285
H 4.979422 -2.417655 2.374784
H -1.873484 2.730472 0.893711
H -2.136109 -2.078029 -0.401091
H -4.145215 1.636646 0.610135
H -4.406883 -1.983996 -0.356746
H -0.149844 -3.105768 0.262105
H -0.163976 -2.647392 -1.491987
H 1.402373 -2.795600 -0.607248
H -6.497542 -2.581363 -0.495908
H -7.538058 -1.231529 -1.058460
H -7.532806 -1.679477 0.660035


