%chk=000039198.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039198

0 1
 O    1.700200       1.349600      0.2469000    
 O    1.161100     -0.7779000      0.8898000    
 O   -5.152300      0.3188000     -0.8715000    
 N    5.199800      0.2480000     -0.2640000    
 N  -0.4310000      0.6997000      1.6600000E-02
 C    5.351700      -1.002600      0.4791000    
 C    6.019000      7.8599997E-02  -1.463800    
 C    6.838600      -1.298200      0.3496000    
 C    7.278000     -0.5848000     -0.9253000    
 C    3.809500      0.5428000     -0.5776000    
 C    3.055400       1.111700      0.6267000    
 C    3.632500       2.430500       1.125100    
 C   0.8275000      0.3072000      0.4296000    
 C   -1.625500     -5.5900000E-02  2.7100001E-02
 C   -2.813800      0.5115000     -0.4329000    
 C   -3.992500     -0.2343000     -0.4224000    
 C   -1.615800      -1.368900      0.4977000    
 C   -6.364800     -0.1460000     -0.2802000    
 C   -7.391700      0.9755000     -0.3178000    
 C   -3.982800      -1.547400      4.8200000E-02
 C   -2.794600      -2.114700      0.5083000    
 C   -8.708500      0.5567000      0.3107000    
 H    4.773700      -1.820000      2.9100001E-02
 H    5.059900     -0.9064000       1.529400    
 H    6.243900       1.033200      -1.949800    
 H    5.534600     -0.5816000      -2.194700    
 H    7.391900     -0.8982000       1.207500    
 H    7.030800      -2.374700      0.2983000    
 H    7.707400      -1.281200      -1.652500    
 H    8.041300      0.1649000     -0.6861000    
 H    3.762500       1.294500      -1.378300    
 H    3.288400     -0.3346000     -0.9830000    
 H    3.091500      0.4111000       1.470100    
 H    3.622000       3.186700      0.3323000    
 H    4.658400       2.317000       1.487700    
 H    3.021000       2.827500       1.943100    
 H  -0.5114000       1.649000     -0.3397000    
 H   -2.829100       1.534700     -0.8011000    
 H  -0.7349000      -1.874900      0.8674000    
 H   -6.217000     -0.4321000      0.7694000    
 H   -6.729700      -1.010800     -0.8465000    
 H   -7.556800       1.288200      -1.355800    
 H   -6.995000       1.855800      0.2023000    
 H   -4.871500      -2.171500      4.7699999E-02
 H   -2.786500      -3.139400      0.8686000    
 H   -9.139800     -0.3002000     -0.2165000    
 H   -8.572500      0.2811000       1.361400    
 H   -9.428500       1.379800      0.2665000    


%chk=000039198-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039198

0 1
O 1.736612 1.358839 0.431516
O 1.278528 -0.888503 1.002648
O -5.163763 0.623450 -0.175498
N 5.250819 0.244968 -0.402831
N -0.401021 0.652942 0.337069
C 5.475580 -0.998924 0.393078
C 6.042867 0.080062 -1.649068
C 6.925866 -1.450073 0.035706
C 7.370414 -0.505483 -1.127339
C 3.836782 0.603535 -0.610420
C 3.195587 1.134294 0.692448
C 3.765978 2.474150 1.150672
C 0.892299 0.246793 0.624956
C -1.596588 -0.113288 0.408796
C -2.805450 0.552484 0.096768
C -4.033726 -0.143854 0.150100
C -1.610917 -1.487603 0.775028
C -6.482476 -0.033537 -0.117274
C -7.526385 1.019787 -0.495947
C -4.067619 -1.513909 0.512797
C -2.847857 -2.159606 0.818868
C -8.957637 0.440408 -0.463328
H 4.737702 -1.790107 0.113135
H 5.349494 -0.799352 1.472215
H 6.164570 1.050407 -2.163250
H 5.559137 -0.633239 -2.365391
H 7.607028 -1.365035 0.899242
H 6.929751 -2.506528 -0.285453
H 7.934447 -1.034859 -1.914825
H 8.003617 0.309837 -0.736429
H 3.780748 1.399191 -1.377588
H 3.233654 -0.266268 -0.973372
H 3.269265 0.366536 1.484447
H 3.542501 3.263767 0.410985
H 4.862198 2.378629 1.237693
H 3.346038 2.776366 2.125243
H -0.486386 1.632407 0.056819
H -2.819818 1.611074 -0.186299
H -0.676576 -1.995716 1.017556
H -6.661817 -0.419275 0.908521
H -6.506399 -0.888122 -0.825974
H -7.292321 1.406999 -1.505080
H -7.441643 1.872573 0.203050
H -5.007593 -2.069800 0.559090
H -2.864341 -3.218485 1.100759
H -9.068406 -0.401605 -1.172356
H -9.220137 0.070094 0.545567
H -9.698006 1.211383 -0.740352


