%chk=000016393.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016393

0 1
 O    1.049300      4.2900000E-02 -0.7752000    
 O   0.5658000     -0.5696000       1.427200    
 N   -1.816600      -1.663000      0.4209000    
 C   -1.191300     -0.5374000     -0.2728000    
 C   -1.006400      -2.870900      0.2686000    
 C   -3.169800      -1.887800     -8.5900001E-02
 C   -2.013500      0.7252000     -0.1286000    
 C   0.2194000     -0.3665000      0.2702000    
 C   -1.609300      -4.036500       1.034300    
 C   -3.149700      -2.259800      -1.558800    
 C   -2.754800      0.9207000       1.023600    
 C   -2.006100       1.656500      -1.152300    
 C    2.375500      0.2295000     -0.3790000    
 C   -3.512900       2.084100       1.156300    
 C   -2.764000       2.820000      -1.019600    
 C    3.246400     -0.8370000     -0.4521000    
 C    2.767400       1.472500      7.0799999E-02
 C   -3.517400       3.033700      0.1347000    
 C    4.571300     -0.6518000     -5.6699999E-02
 C    4.092200       1.657800      0.4660000    
 C    2.812700      -2.180200     -0.9397000    
 C    1.817700       2.622500      0.1459000    
 C    4.994100      0.5955000      0.4022000    
 H   -1.070900     -0.7742000      -1.337900    
 H  -0.8080000      -3.152100     -0.7715000    
 H  -1.8500000E-02  -2.741100      0.7201000    
 H   -3.673500      -2.675900      0.4851000    
 H   -3.847300      -1.039900      4.3299999E-02
 H   -1.885200      -3.752500       2.055800    
 H   -2.484700      -4.461200      0.5340000    
 H  -0.8730000      -4.844900       1.111100    
 H   -2.789700      -1.463600      -2.215100    
 H   -2.611200      -3.184000      -1.781600    
 H   -4.184100      -2.447500      -1.874600    
 H   -2.746700      0.2219000       1.854800    
 H   -1.421400       1.500000      -2.054000    
 H   -4.092900       2.254900       2.058600    
 H   -2.766600       3.560000      -1.814500    
 H   -4.105700       3.940600      0.2390000    
 H    5.284700      -1.470600     -9.8499998E-02
 H    4.437300       2.622900      0.8274000    
 H    3.665800      -2.771700      -1.289900    
 H    2.123100      -2.093000      -1.785900    
 H    2.322500      -2.733600     -0.1332000    
 H    2.339300       3.568200      0.3285000    
 H    1.271700       2.735400     -0.7967000    
 H    1.101600       2.471700      0.9600000    
 H    6.025400      0.7395000      0.7110000    


%chk=000016393-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016393

0 1
O 1.127328 -0.157882 -0.626211
O 0.423621 -0.525903 1.580501
N -1.947410 -1.790320 0.313566
C -1.193143 -0.686389 -0.330623
C -1.177770 -3.066208 0.329853
C -3.344537 -1.919851 -0.186866
C -1.922433 0.661872 -0.232559
C 0.170873 -0.481682 0.364321
C -1.855721 -4.172315 1.157743
C -3.516364 -2.350023 -1.669004
C -2.397908 1.118484 1.022966
C -2.086113 1.475110 -1.378199
C 2.467346 0.202111 -0.233142
C -3.041853 2.370203 1.123639
C -2.729243 2.730490 -1.277031
C 3.485769 -0.735180 -0.530719
C 2.710162 1.476796 0.332565
C -3.209547 3.180291 -0.025670
C 4.819217 -0.358870 -0.237684
C 4.060333 1.808934 0.609485
C 3.149339 -2.085755 -1.131950
C 1.580255 2.441730 0.628817
C 5.106008 0.902557 0.329912
H -0.961457 -0.882849 -1.404574
H -0.972854 -3.444543 -0.703850
H -0.197876 -2.849726 0.791748
H -3.863299 -2.642751 0.466919
H -3.846494 -0.948870 -0.032687
H -2.107781 -3.792745 2.163564
H -2.778210 -4.553066 0.684285
H -1.164960 -5.027537 1.272292
H -3.062065 -1.617894 -2.361627
H -3.066825 -3.339814 -1.870033
H -4.592619 -2.414721 -1.914256
H -2.258333 0.478915 1.901520
H -1.707854 1.127564 -2.347400
H -3.409492 2.717430 2.095901
H -2.855937 3.353026 -2.169857
H -3.708683 4.152676 0.054268
H 5.631130 -1.061948 -0.456228
H 4.284834 2.789019 1.046064
H 4.067067 -2.652376 -1.362855
H 2.560573 -1.976796 -2.060449
H 2.539660 -2.693287 -0.436341
H 1.969995 3.454473 0.825663
H 0.862727 2.500802 -0.209167
H 1.009740 2.116571 1.518955
H 6.142803 1.179943 0.549734


