%chk=000040573.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040573

0 1
 O   -1.702900       2.089000     -3.6499999E-02
 O    3.638100      -1.188000     -0.8552000    
 O    3.482500      -1.388600       1.417000    
 N    1.720000     -0.4667000      0.2063000    
 C  -0.8987000      0.8989000      2.4300000E-02
 C  -2.2200000E-02  0.9740000       1.308700    
 C   0.1151000      0.9256000      -1.157400    
 C   0.7797000       2.296300       1.362600    
 C   0.9058000       2.256700      -1.175700    
 C   0.9045000     -0.2511000       1.402900    
 C    1.075900     -0.2807000      -1.100400    
 C    1.636500       2.562500      0.1283000    
 C   -1.918900     -0.2481000      2.3900000E-02
 C    2.991200      -1.043200      0.3438000    
 C   -2.895000     -0.3087000       1.016200    
 C   -1.865500      -1.224000     -0.9687000    
 C   -2.503500       2.115900      -1.209500    
 C   -3.822200      -1.350700       1.015900    
 C   -2.792900      -2.266100     -0.9689000    
 C   -3.771300      -2.329300      2.3399999E-02
 C    4.943800      -1.773800     -0.8009000    
 H  -0.6654000      0.9773000       2.198300    
 H  -0.3881000      0.8641000      -2.128800    
 H    1.417200       2.310100       2.255100    
 H   7.6800004E-02   3.130400       1.484600    
 H   0.2225000       3.086200      -1.394100    
 H    1.630800       2.248000      -1.999100    
 H    1.553700     -0.1620000       2.281500    
 H   0.3144000      -1.164300       1.545800    
 H   0.6353000      -1.247100      -1.339300    
 H    1.847500     -0.1377000      -1.865900    
 H    1.961100       3.610000      0.1281000    
 H    2.558400       1.973300      0.1833000    
 H   -2.954100      0.4471000       1.794300    
 H   -1.218200      -1.179000      -1.832000    
 H   -3.088100       3.041600      -1.157200    
 H   -3.240100       1.312200      -1.279800    
 H   -1.921700       2.193400      -2.129900    
 H   -4.585700      -1.398500       1.786800    
 H   -2.771200      -3.013800      -1.756500    
 H   -4.497400      -3.136900      1.9300001E-02
 H    5.334700      -1.826300      -1.820500    
 H    4.887000      -2.787700     -0.3938000    
 H    5.613000      -1.151000     -0.1999000    


%chk=000040573-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040573

0 1
O -1.647354 2.122822 -0.046806
O 3.699687 -1.144804 -0.795360
O 3.583238 -1.100726 1.552057
N 1.718270 -0.554026 0.229354
C -0.866826 0.842697 -0.045439
C -0.019408 0.929338 1.262362
C 0.163654 0.807583 -1.221097
C 0.806640 2.245800 1.296307
C 0.958936 2.142892 -1.264900
C 0.846481 -0.346587 1.406323
C 1.093260 -0.436823 -1.105336
C 1.710220 2.455814 0.054204
C -1.890028 -0.314698 -0.031506
C 3.022119 -0.944592 0.431419
C -2.721791 -0.485753 1.108156
C -2.129048 -1.152248 -1.151505
C -2.549394 2.317191 -1.183722
C -3.726150 -1.475485 1.142569
C -3.136373 -2.144038 -1.125734
C -3.935592 -2.317328 0.025017
C 5.112015 -1.547281 -0.644596
H -0.704817 0.945196 2.130449
H -0.366655 0.703097 -2.189546
H 1.423966 2.255417 2.216203
H 0.091672 3.084304 1.369452
H 0.248566 2.964394 -1.474965
H 1.674642 2.107176 -2.110213
H 1.497582 -0.275109 2.293010
H 0.189242 -1.230776 1.540440
H 0.516404 -1.360093 -1.313589
H 1.894741 -0.369373 -1.856446
H 2.061499 3.505842 0.032832
H 2.613209 1.825658 0.129613
H -2.599173 0.178613 1.969763
H -1.539798 -1.032504 -2.066464
H -3.046757 3.282615 -0.997544
H -3.311882 1.516471 -1.247480
H -2.002284 2.372706 -2.147752
H -4.350352 -1.585822 2.036577
H -3.295770 -2.777769 -2.005571
H -4.714078 -3.087922 0.048936
H 5.477259 -1.672165 -1.674665
H 5.187462 -2.492316 -0.080538
H 5.685165 -0.768089 -0.113864


