%chk=000020053.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020053

0 1
 O   -5.258500      -3.882400     -2.4700001E-02
 O  -0.8847000     -0.5039000      -1.139500    
 O   -3.323700       2.190400       1.761400    
 O   0.7322000       3.628700      0.1961000    
 N   -2.237400      0.8566000      0.1824000    
 N   -1.323200       2.908700      0.9224000    
 C   -3.218000     -0.1888000      0.3483000    
 C   -2.577200      -1.431000      0.9730000    
 C   -3.890200     -0.5184000     -0.9875000    
 C   -3.580700      -2.571300       1.110500    
 C   -4.891500      -1.659800     -0.8439000    
 C   -4.249100      -2.898600     -0.2237000    
 C  -0.3379000       1.835700      -1.017700    
 C   -1.146900      0.6013000     -0.6635000    
 C    1.040000       1.458800      -1.559500    
 C   -2.376800       2.000000      0.9934000    
 C    1.915000      0.8285000     -0.4764000    
 C  -0.2200000       2.858700      8.7399997E-02
 C    3.281000      0.4220000      -1.031800    
 C    4.144700     -0.2396000      4.3299999E-02
 C    5.523600     -0.6158000     -0.5042000    
 C    6.397400      -1.247400      0.5820000    
 C    7.800600      -1.614600      9.4599999E-02
 C    8.681300      -2.217900       1.177800    
 H   -4.010400      0.1435000       1.030300    
 H   -1.729600      -1.823900      0.4080000    
 H   -2.182500      -1.179100       1.965700    
 H   -4.407900      0.3708000      -1.369000    
 H   -3.167000     -0.8006000      -1.759600    
 H   -4.346200      -2.307400       1.851900    
 H   -3.083400      -3.464800       1.507200    
 H   -5.317100      -1.913100      -1.822500    
 H   -5.740900      -1.335500     -0.2285000    
 H   -3.510100      -3.313400     -0.9195000    
 H  -0.8940000       2.329900      -1.826900    
 H    1.541400       2.351900      -1.954200    
 H   0.9382000      0.7645000      -2.403000    
 H    2.073200       1.520800      0.3571000    
 H    1.428800     -5.9900001E-02 -5.7900000E-02
 H    3.794700       1.308200      -1.423800    
 H    3.146800     -0.2721000      -1.870400    
 H   -1.344300       3.670300       1.595100    
 H   -4.832400      -4.664100      0.3663000    
 H    3.640800      -1.137700      0.4205000    
 H    4.262200      0.4459000      0.8916000    
 H    6.020700      0.2794000     -0.8970000    
 H    5.411700      -1.317300      -1.339500    
 H    6.484600     -0.5510000       1.425400    
 H    5.903500      -2.148600      0.9660000    
 H    7.721300      -2.326500     -0.7355000    
 H    8.293200     -0.7186000     -0.3015000    
 H    8.238300      -3.137400       1.573100    
 H    8.814900      -1.516600       2.007600    
 H    9.669000      -2.460800      0.7739000    


%chk=000020053-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020053

0 1
O -5.338243 -3.902777 0.208475
O -1.485893 -0.000125 -2.049182
O -2.416729 1.664072 2.238489
O 0.315633 4.215934 -0.485757
N -1.981319 0.784872 0.093774
N -1.038385 2.873931 0.827523
C -2.903083 -0.375576 0.384151
C -2.150828 -1.729466 0.384877
C -4.128538 -0.382416 -0.562855
C -3.134833 -2.863911 0.765944
C -5.082746 -1.540464 -0.183631
C -4.345259 -2.888495 -0.191809
C -0.405354 2.071537 -1.427417
C -1.327334 0.878004 -1.157766
C 1.035481 1.576800 -1.794229
C -1.847224 1.757268 1.120284
C 1.782258 0.880790 -0.636236
C -0.335297 3.147496 -0.353994
C 3.194251 0.419210 -1.062549
C 4.011410 -0.203583 0.091313
C 5.421326 -0.660812 -0.346377
C 6.271570 -1.229621 0.811451
C 7.679472 -1.686845 0.365672
C 8.533755 -2.234920 1.528832
H -3.263160 -0.183278 1.411267
H -1.723361 -1.919759 -0.615219
H -1.316272 -1.693823 1.110388
H -4.662887 0.583052 -0.483581
H -3.791993 -0.496936 -1.607919
H -3.510731 -2.721709 1.798836
H -2.604741 -3.837409 0.739827
H -5.932529 -1.583584 -0.888395
H -5.505008 -1.385576 0.828839
H -3.980178 -3.101138 -1.223000
H -0.803318 2.560246 -2.339222
H 1.607690 2.461177 -2.129589
H 0.934827 0.886811 -2.651713
H 1.875103 1.574745 0.224352
H 1.202685 0.003035 -0.282279
H 3.750630 1.287344 -1.473377
H 3.105284 -0.314703 -1.890287
H -0.987677 3.572344 1.577097
H -4.900418 -4.791708 0.228334
H 3.458268 -1.068694 0.513213
H 4.105736 0.536937 0.912948
H 5.956947 0.197678 -0.803559
H 5.327225 -1.427501 -1.143914
H 6.372246 -0.459873 1.605330
H 5.739098 -2.086251 1.275714
H 7.578109 -2.464302 -0.419149
H 8.204758 -0.833196 -0.109717
H 8.043714 -3.104860 2.005834
H 8.681101 -1.464810 2.309614
H 9.532262 -2.558461 1.181441


