%chk=000009295.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009295

0 1
 O   -1.531600       1.294300      0.4163000    
 O    4.634300      0.3946000      3.3000000E-03
 O   -1.327100       1.781800      -1.824200    
 N   -3.879800      -1.231000     -0.2887000    
 C   -3.674000      0.6229000       1.362500    
 C   -3.463300     -0.8771000       1.066200    
 C   -2.935500       1.535100      0.3539000    
 C   -3.223600      0.9652000       2.792000    
 C   -3.181500      -2.433900     -0.7419000    
 C   -5.328000      -1.430800     -0.3439000    
 C   -3.192400       3.021000      0.5802000    
 C   -3.526900      -3.630200      0.1285000    
 C   -5.786200      -1.738000      -1.759500    
 C  -0.8491000       1.455000     -0.7489000    
 C   0.5955000       1.174700     -0.5513000    
 C    6.379900      -1.284000     -5.8699999E-02
 C    4.987700     -0.9107000      0.4580000    
 C    1.002000      0.2573000      0.4175000    
 C    1.546300       1.829600      -1.334200    
 C    3.309900      0.6494000     -0.1796000    
 C    7.440900     -0.2993000      0.4372000    
 C    6.739900      -2.707600      0.3605000    
 C    2.359200     -5.4000001E-03  0.6034000    
 C    2.903500       1.567100      -1.148400    
 H   -4.746400      0.8487000       1.308100    
 H   -2.393600      -1.086400       1.204500    
 H   -3.991200      -1.469100       1.825700    
 H   -3.321200       1.291000     -0.6444000    
 H   -3.494600       1.988100       3.069500    
 H   -3.715100      0.3013000       3.512000    
 H   -2.142500      0.8457000       2.917900    
 H   -3.379700      -2.652600      -1.796600    
 H   -2.098000      -2.260400     -0.7016000    
 H   -5.704000      -2.186900      0.3544000    
 H   -5.825500     -0.4956000     -6.0400002E-02
 H   -2.682900       3.389700       1.476300    
 H   -4.262500       3.234100      0.6607000    
 H   -2.792800       3.607900     -0.2543000    
 H   -3.303900      -3.481000       1.188500    
 H   -4.565900      -3.955400      2.4900001E-02
 H   -2.914000      -4.481600     -0.1918000    
 H   -5.363100      -1.033500      -2.484000    
 H   -5.538300      -2.757200      -2.070300    
 H   -6.876800      -1.648300      -1.818800    
 H    6.370900      -1.230800      -1.154900    
 H    4.973300     -0.9213000       1.554800    
 H    4.283200      -1.664900      8.2599998E-02
 H   0.2827000     -0.2716000       1.037300    
 H    1.245900       2.549500      -2.091000    
 H    7.483000     -0.2796000       1.531600    
 H    8.432700     -0.5791000      6.5899998E-02
 H    7.232900      0.7171000      8.7399997E-02
 H    6.008300      -3.424500     -2.6799999E-02
 H    7.722900      -2.991300     -3.0200001E-02
 H    6.767600      -2.806600       1.451000    
 H    2.633800     -0.7072000       1.385400    
 H    3.639700       2.080900      -1.760400    


%chk=000009295-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009295

0 1
O -1.475368 1.018791 0.463059
O 4.717634 -0.362128 -0.556618
O -1.278308 1.752011 -1.748480
N -4.341552 -1.141459 -0.308598
C -3.629386 0.493440 1.486735
C -3.617228 -0.975203 0.974475
C -2.930687 1.420336 0.468678
C -3.041788 0.579233 2.913417
C -3.705091 -2.091054 -1.255619
C -5.805796 -1.300271 -0.132353
C -3.026266 2.921725 0.766105
C -3.752206 -3.592951 -0.859632
C -6.606010 -1.084229 -1.430872
C -0.762929 1.242077 -0.718792
C 0.655361 0.804987 -0.608767
C 6.808485 -1.243208 0.318631
C 5.336228 -0.953543 0.647864
C 1.194032 0.252993 0.580158
C 1.496978 0.951681 -1.746748
C 3.370741 0.001425 -0.501634
C 7.582210 0.057961 0.010870
C 7.452129 -2.024848 1.488613
C 2.542969 -0.149844 0.642740
C 2.840337 0.554981 -1.697665
H -4.685043 0.837761 1.521178
H -2.561997 -1.273184 0.826397
H -4.028484 -1.634337 1.777975
H -3.330930 1.198485 -0.537999
H -3.114301 1.601231 3.325593
H -3.585194 -0.098030 3.598375
H -1.976043 0.288503 2.915186
H -4.174627 -1.960499 -2.248262
H -2.650410 -1.777740 -1.372796
H -6.071030 -2.296462 0.305967
H -6.130261 -0.545006 0.608692
H -2.525734 3.180634 1.715405
H -4.087777 3.223830 0.838544
H -2.561227 3.502741 -0.047902
H -3.272318 -3.763874 0.121736
H -4.790433 -3.968689 -0.803017
H -3.215043 -4.201622 -1.610842
H -6.344044 -0.111201 -1.883036
H -6.408396 -1.874378 -2.177351
H -7.690628 -1.093833 -1.216504
H 6.820992 -1.883750 -0.585973
H 5.257472 -0.238464 1.494382
H 4.798533 -1.887381 0.913000
H 0.547273 0.145859 1.455534
H 1.069985 1.381041 -2.658852
H 7.621480 0.710950 0.904583
H 8.621857 -0.166551 -0.289460
H 7.097616 0.620056 -0.805496
H 6.929789 -2.980824 1.681746
H 8.507977 -2.256557 1.261282
H 7.434880 -1.429402 2.422012
H 2.936041 -0.573284 1.571144
H 3.500536 0.660176 -2.563606


