%chk=000024223.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000024223

0 1
 O    2.780500      0.5354000       1.133200    
 O    1.206700       2.474300      -1.570700    
 O   -7.034200     -0.4840000      0.4945000    
 N   -1.078300      0.8345000     -0.4602000    
 C    2.624300       1.615500      0.2084000    
 C    1.307700       1.432800     -0.5921000    
 C   3.0200001E-02   1.460200      0.2607000    
 C    3.855500       1.649200     -0.7040000    
 C    2.582700       2.902000       1.043600    
 C   -2.284000      0.8307000      0.3532000    
 C   -3.435800      0.1768000     -0.4079000    
 C   -4.715800      0.1705000      0.4262000    
 C    2.901000     -0.7148000      0.5948000    
 C   -5.860600     -0.5168000     -0.3065000    
 C    4.162000      -1.218100      0.2750000    
 C    1.762700      -1.487600      0.3647000    
 C    4.284800      -2.494000     -0.2753000    
 C    1.885600      -2.763500     -0.1855000    
 C    3.146800      -3.266600     -0.5054000    
 C   -8.121800      -1.136600     -0.1466000    
 H    1.355700      0.5065000      -1.173000    
 H   0.1870000      0.9424000       1.212500    
 H  -0.2369000       2.500800      0.4831000    
 H    3.878300       2.575200      -1.290600    
 H    4.786100       1.608100     -0.1273000    
 H    3.865400      0.8285000      -1.428500    
 H    3.523600       3.033400       1.591600    
 H    2.424500       3.790000      0.4236000    
 H    1.798700       2.861700       1.807500    
 H  -0.8319000     -0.1208000     -0.7163000    
 H   -2.111000      0.2826000       1.287600    
 H   -2.564600       1.858400      0.6137000    
 H   -3.167600     -0.8540000     -0.6720000    
 H   -3.614500      0.7147000      -1.347600    
 H   -5.009900       1.196900      0.6788000    
 H   -4.544600     -0.3372000       1.383700    
 H   0.3841000       2.327400      -2.068300    
 H   -5.593300      -1.558800     -0.5192000    
 H   -6.056100     -4.9999999E-03  -1.256300    
 H    5.060100     -0.6397000      0.4715000    
 H   0.7765000      -1.143400      0.6498000    
 H    5.267100      -2.888300     -0.5184000    
 H    1.000500      -3.370000     -0.3538000    
 H    3.242600      -4.261600     -0.9300000    
 H   -8.363200     -0.6415000      -1.092200    
 H   -7.887400      -2.191100     -0.3219000    
 H   -8.993800      -1.078000      0.5102000    


%chk=000024223-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000024223

0 1
O 2.878175 0.352647 0.982103
O 0.449644 1.723259 -1.551764
O -7.582080 0.384629 0.431084
N -1.360379 0.224201 -0.262442
C 2.336769 1.344377 -0.038443
C 1.004352 0.761398 -0.593519
C -0.085437 0.470176 0.468934
C 3.323222 1.567804 -1.195536
C 2.125264 2.625420 0.779985
C -2.604007 0.415452 0.525550
C -3.853130 0.181221 -0.345366
C -5.164568 0.392361 0.443508
C 3.627873 -0.769628 0.553911
C -6.408543 0.164598 -0.420224
C 5.042463 -0.695996 0.562903
C 2.986151 -1.992066 0.233684
C 5.809863 -1.835789 0.235694
C 3.760622 -3.128409 -0.093139
C 5.173023 -3.054246 -0.099047
C -8.835664 0.207598 -0.297176
H 1.250449 -0.186596 -1.127632
H 0.225239 -0.358260 1.138678
H -0.240375 1.368163 1.093084
H 2.875698 2.289616 -1.899258
H 4.282400 1.969262 -0.824462
H 3.521726 0.632658 -1.748696
H 3.095410 3.105012 0.994752
H 1.492526 3.326229 0.208700
H 1.641936 2.398909 1.745534
H -1.356497 -0.698693 -0.723602
H -2.646049 -0.252902 1.419108
H -2.605204 1.455843 0.904225
H -3.828229 -0.852343 -0.752745
H -3.811809 0.866440 -1.215014
H -5.203052 1.421440 0.849822
H -5.207736 -0.296242 1.309501
H -0.536199 1.502632 -1.535055
H -6.421403 -0.873282 -0.827515
H -6.423819 0.870562 -1.282798
H 5.520288 0.249287 0.840042
H 1.893221 -2.052222 0.266841
H 6.903994 -1.773674 0.245937
H 3.260653 -4.073043 -0.336374
H 5.770112 -3.937246 -0.351747
H -8.924205 0.927517 -1.139597
H -8.932384 -0.823733 -0.700796
H -9.644903 0.392761 0.426665


