%chk=000027490.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027490

1 1
 O  -0.6647000      -1.185400     -0.7784000    
 O   0.5858000      -1.913700       1.007600    
 N   -3.757800      0.3889000      0.1548000    
 C   -2.565900      0.1935000       1.098600    
 C   -3.441500     -0.1619000      -1.240100    
 C   -1.815900      -1.828600     -0.2344000    
 C   -2.116200      -1.263900       1.150700    
 C   -2.988100      -1.618500      -1.186600    
 C   -5.027100     -0.2425000      0.7259000    
 C   -4.018300       1.895100      2.3399999E-02
 C    1.619200     -0.5127000     -0.7185000    
 C    3.022000      -1.172400     -0.5231000    
 C   0.4906000      -1.304700     -5.0500002E-02
 C    3.545300     -0.9644000      0.9163000    
 C    1.566100      0.9746000     -0.3880000    
 C    3.071600      -2.648900     -0.9341000    
 C    4.949100      -1.512100       1.138300    
 C    2.041400       1.878400      -1.314200    
 C    1.044700       1.367400      0.8263000    
 C    1.993000       3.239200      -1.012000    
 C   0.9963000       2.728300       1.128600    
 C    1.470300       3.664300      0.2095000    
 H   -2.869300      0.5472000       2.090500    
 H   -1.760800      0.8360000      0.7301000    
 H   -2.651200      0.4690000      -1.664500    
 H   -4.342800     -5.2200001E-02  -1.853700    
 H   -1.608100      -2.903900     -0.1671000    
 H   -1.297200      -1.324400       1.866800    
 H   -2.912100      -1.869500       1.601500    
 H   -3.823900      -2.264000     -0.8949000    
 H   -2.695100      -1.920300      -2.199700    
 H   -5.853900     -3.1099999E-02  4.1000001E-02
 H   -4.892800      -1.320600      0.8246000    
 H   -5.222300      0.2033000       1.705800    
 H   -4.866100       2.041300     -0.6525000    
 H   -4.244100       2.294200       1.016800    
 H   -3.120400       2.370100     -0.3831000    
 H    1.409200     -0.6037000      -1.796700    
 H    3.715000     -0.6415000      -1.191800    
 H    3.582000      0.1050000       1.149400    
 H    2.880400      -1.428000       1.651200    
 H    4.104300      -2.998800      -1.030300    
 H    2.564000      -3.290900     -0.2075000    
 H    2.592600      -2.792800      -1.908500    
 H    4.967800      -2.604900       1.091300    
 H    5.648700      -1.117200      0.3949000    
 H    5.311200      -1.221800       2.130100    
 H    2.450800       1.555100      -2.266400    
 H   0.6889000      0.6654000       1.572200    
 H    2.362700       3.968000      -1.727400    
 H   0.5937000       3.059000       2.081600    
 H    1.433700       4.723800      0.4453000    


%chk=000027490-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027490

1 1
O -0.710200 -1.268779 -0.582666
O 0.669916 -2.223598 1.030838
N -3.679478 0.512004 -0.009506
C -2.566186 0.331440 1.057653
C -3.322328 -0.304521 -1.278104
C -1.893436 -1.907236 0.063996
C -2.256282 -1.142280 1.353526
C -3.014262 -1.781036 -0.978849
C -5.033815 0.083226 0.543450
C -3.749293 1.989338 -0.387630
C 1.604189 -0.630929 -0.673945
C 3.072339 -1.175228 -0.532331
C 0.554930 -1.478460 0.038142
C 3.661854 -1.084800 0.900733
C 1.420903 0.837361 -0.253282
C 3.160357 -2.604110 -1.123354
C 5.164562 -1.440143 0.959439
C 1.510859 1.857522 -1.234264
C 1.183848 1.210520 1.097169
C 1.373016 3.218709 -0.878571
C 1.039960 2.570962 1.454261
C 1.133210 3.580755 0.467704
H -2.903776 0.871002 1.959062
H -1.669595 0.833980 0.655619
H -2.427502 0.176682 -1.706229
H -4.168500 -0.191502 -1.976955
H -1.652068 -2.958993 0.294460
H -1.405877 -1.177000 2.056086
H -3.097479 -1.650846 1.860082
H -3.909232 -2.333084 -0.638325
H -2.693806 -2.246452 -1.927361
H -5.802322 0.246245 -0.227955
H -5.009014 -0.979203 0.818909
H -5.264659 0.689012 1.433257
H -4.519720 2.128883 -1.161927
H -4.006138 2.579094 0.505981
H -2.768518 2.307583 -0.772469
H 1.351315 -0.689808 -1.750958
H 3.679142 -0.501407 -1.175573
H 3.533664 -0.052557 1.279177
H 3.094270 -1.752627 1.575361
H 4.211322 -2.918542 -1.235850
H 2.659326 -3.338411 -0.466666
H 2.694523 -2.657032 -2.126277
H 5.348374 -2.501639 0.717546
H 5.751449 -0.823063 0.252654
H 5.565654 -1.259655 1.972872
H 1.703664 1.586476 -2.279593
H 1.139345 0.439670 1.876713
H 1.463869 3.994122 -1.647081
H 0.882154 2.844264 2.503694
H 1.040272 4.635891 0.746432


