%chk=000034173.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034173

0 1
 O    3.978700       2.766700       1.371600    
 O   -4.189800      -1.773400     -0.2715000    
 N  -0.1051000      -2.206200      0.5656000    
 C    1.951400      -1.425900     -0.2446000    
 C    2.226900      -2.213600       1.059600    
 C   0.6354000      -2.097800     -0.6925000    
 C   0.8568000      -2.684300       1.559500    
 C    3.037900      -1.683700      -1.304100    
 C    1.877200      8.6499996E-02  3.5000000E-02
 C   -1.278600      -3.058400      0.4592000    
 C    2.739600     -0.9241000      -2.589800    
 C   -2.251000      -2.765000       1.603400    
 C    2.975900      0.7498000      0.5817000    
 C   0.7102000      0.7928000     -0.2563000    
 C    3.799500      -1.198500      -3.644600    
 C   -2.733900      -1.311900       1.597100    
 C    2.907300       2.119400      0.8373000    
 C   0.6416000       2.162200     -6.9999998E-04
 C    1.740100       2.825600      0.5461000    
 C   -3.531200     -0.9455000      0.3534000    
 C   -3.526300      0.4729000     -0.1057000    
 C    5.140000       1.984300       1.645000    
 C   -3.381900       1.505500      0.8211000    
 C   -3.665800      0.7677000      -1.462000    
 C   -3.377200       2.832600      0.3917000    
 C   -3.660900       2.094900      -1.891300    
 C   -3.516600       3.127300     -0.9644000    
 H    2.844600      -3.096900      0.8513000    
 H    2.743500      -1.636100       1.832600    
 H   7.8000002E-02  -1.552100      -1.458900    
 H   0.8344000      -3.101000      -1.097100    
 H   0.6342000      -2.257500       2.543100    
 H   0.8682000      -3.776800       1.656700    
 H    4.027700      -1.394800     -0.9284000    
 H    3.105200      -2.757600      -1.523400    
 H   -1.012300      -4.123000      0.4539000    
 H   -1.790000      -2.873200     -0.4931000    
 H    1.767100      -1.215100      -3.000600    
 H    2.714100      0.1578000      -2.425400    
 H   -3.111600      -3.439000       1.512200    
 H   -1.784000      -2.986800       2.570400    
 H    3.861800      0.1615000      0.7916000    
 H  -0.1733000      0.3349000     -0.6835000    
 H    4.789400     -0.8843000      -3.298200    
 H    3.571900     -0.6485000      -4.563300    
 H    3.843100      -2.264400      -3.890400    
 H   -1.879400     -0.6364000       1.708600    
 H   -3.393400      -1.157100       2.459300    
 H  -0.2640000       2.714500     -0.2308000    
 H    1.680700       3.892700      0.7421000    
 H    5.892500       2.659600       2.065400    
 H    5.566800       1.562700      0.7285000    
 H    4.940700       1.218300       2.402300    
 H   -3.285800       1.306800       1.884700    
 H   -3.773800     -2.4000000E-02  -2.198600    
 H   -3.267100       3.636700       1.113300    
 H   -3.767800       2.324500      -2.947400    
 H   -3.512400       4.160600      -1.298800    


%chk=000034173-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000034173

0 1
O 4.045045 2.840374 1.283491
O -4.044368 -1.644505 -0.658775
N -0.057650 -2.332713 0.397172
C 2.103158 -1.561087 -0.252905
C 2.250577 -2.328337 1.113022
C 0.809123 -2.225479 -0.792959
C 0.796875 -2.633080 1.578532
C 3.312263 -1.851395 -1.192698
C 1.953213 -0.042022 0.003894
C -1.302591 -3.103409 0.263958
C 3.187436 -1.247209 -2.610216
C -2.346747 -2.713125 1.338935
C 3.068713 0.670390 0.528022
C 0.760641 0.674746 -0.254231
C 4.435811 -1.523122 -3.475583
C -2.667732 -1.207200 1.310326
C 2.989438 2.060710 0.772515
C 0.688722 2.067933 -0.008099
C 1.794332 2.771612 0.501906
C -3.544775 -0.785601 0.129538
C -3.817220 0.681644 -0.081374
C 5.310720 2.165292 1.568619
C -3.232670 1.691886 0.730009
C -4.689128 1.062878 -1.138037
C -3.516189 3.053640 0.488418
C -4.972379 2.421621 -1.378298
C -4.385893 3.421924 -0.564601
H 2.799904 -3.272276 0.934912
H 2.816293 -1.745175 1.858633
H 0.308074 -1.646316 -1.589517
H 1.076785 -3.222101 -1.231249
H 0.498740 -2.009559 2.443929
H 0.698158 -3.700309 1.890941
H 4.246885 -1.477693 -0.727465
H 3.429313 -2.952258 -1.276361
H -1.115692 -4.206574 0.328427
H -1.733038 -2.904707 -0.734163
H 2.293005 -1.665701 -3.113344
H 3.022007 -0.155447 -2.530459
H -3.264879 -3.303471 1.164150
H -1.961687 -2.980639 2.342095
H 3.997312 0.130097 0.739999
H -0.124014 0.151959 -0.625439
H 5.340979 -1.080583 -3.017475
H 4.327602 -1.094706 -4.488845
H 4.613556 -2.610065 -3.585400
H -1.708572 -0.651690 1.268633
H -3.177825 -0.888594 2.242897
H -0.243303 2.604819 -0.220399
H 1.760795 3.847813 0.696325
H 5.980459 2.954095 1.942234
H 5.743408 1.712376 0.654551
H 5.188767 1.383600 2.344564
H -2.553329 1.422176 1.545005
H -5.127473 0.269704 -1.753074
H -3.061352 3.825920 1.118579
H -5.645853 2.705315 -2.194517
H -4.604549 4.479527 -0.750849


