%chk=000039027.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039027

0 1
 O    4.722700      -1.792500      0.2773000    
 O   -4.426200      0.7682000     -0.3962000    
 O   -4.419900      -1.896100      0.3500000    
 N   0.4499000      0.5209000     -0.3504000    
 N    1.383700       4.116100      6.0500000E-02
 C    1.324200     -0.5022000     -6.8800002E-02
 C  -0.8528000      9.8899998E-02 -0.2262000    
 C   0.5584000      -1.624300      0.2483000    
 C  -0.8178000      -1.244300      0.1488000    
 C   0.8264000       1.868700     -0.7301000    
 C    2.723800     -0.5169000     -7.1400002E-02
 C   0.9806000       2.780800      0.4836000    
 C   -2.048600      0.8009000     -0.4165000    
 C    1.223800      -2.823300      0.5799000    
 C   -2.039600      -1.922000      0.3441000    
 C    3.359900      -1.716000      0.2604000    
 C    2.623000      -2.853500      0.5816000    
 C   -3.245600      0.1080000     -0.2170000    
 C   -3.243500      -1.233300      0.1578000    
 C    3.554400      0.6806000     -0.4074000    
 C    1.573200       4.989500       1.220300    
 C   0.3914000       4.690600     -0.8499000    
 C    5.363000      -2.169500     -0.9386000    
 C   -4.979400       1.422700      0.7426000    
 C   -4.985000      -2.552100     -0.7824000    
 H    1.693600       1.851200      -1.386900    
 H   2.1199999E-02   2.216600      -1.386100    
 H   2.9300001E-02   2.821000       1.033200    
 H    1.706800       2.368700       1.191900    
 H   -2.061400       1.847700     -0.7022000    
 H   0.6630000      -3.718600      0.8329000    
 H   -2.046500      -2.968400      0.6376000    
 H    3.131500      -3.779500      0.8391000    
 H    3.508400      0.8926000      -1.479600    
 H    3.294600       1.554600      0.1836000    
 H    4.615100      0.5240000     -0.1824000    
 H    2.337000       4.578900       1.890300    
 H   0.6479000       5.124000       1.792300    
 H    1.932200       5.975800      0.9059000    
 H   0.6146000       5.748200      -1.037800    
 H  -0.6280000       4.634300     -0.4509000    
 H   0.4216000       4.220300      -1.837600    
 H    5.104900      -3.200700      -1.199500    
 H    6.444500      -2.107900     -0.7897000    
 H    5.084400      -1.497200      -1.756300    
 H   -4.298900       2.198500       1.107500    
 H   -5.188500      0.7015000       1.539000    
 H   -5.919300       1.894900      0.4436000    
 H   -4.306900      -3.326300      -1.155200    
 H   -5.204900      -1.831300      -1.576200    
 H   -5.920100      -3.026300     -0.4725000    


%chk=000039027-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039027

0 1
O 4.877440 -1.626154 -0.301197
O -4.469656 0.784382 -0.269961
O -4.353727 -2.040654 0.390512
N 0.481608 0.659030 -0.591673
N 1.220067 4.346914 0.026187
C 1.414354 -0.390671 -0.374387
C -0.819981 0.163052 -0.362355
C 0.668646 -1.576423 -0.021767
C -0.741947 -1.226173 -0.018843
C 0.735074 2.070628 -0.911591
C 2.832755 -0.394224 -0.468966
C 0.855334 2.951742 0.358425
C -2.056508 0.839451 -0.429034
C 1.344609 -2.783494 0.240637
C -1.928831 -1.954103 0.222155
C 3.467591 -1.642682 -0.194875
C 2.747665 -2.819802 0.155856
C -3.230607 0.103092 -0.169680
C -3.170072 -1.297363 0.131537
C 3.689912 0.803399 -0.846565
C 1.796109 5.067630 1.181579
C 0.113040 5.107166 -0.592340
C 5.601422 -2.863260 -0.016151
C -5.242009 0.844982 0.993081
C -5.212400 -2.229579 -0.800782
H 1.657243 2.171680 -1.499664
H -0.094042 2.422092 -1.552133
H -0.095302 2.887518 0.947202
H 1.654538 2.528749 0.995249
H -2.150805 1.904687 -0.657792
H 0.786412 -3.686751 0.509108
H -1.918708 -3.020579 0.468032
H 3.275872 -3.754943 0.358656
H 3.591620 1.055933 -1.919899
H 3.432159 1.705558 -0.264442
H 4.749250 0.570984 -0.664044
H 2.669207 4.513414 1.568839
H 1.073364 5.209678 2.024639
H 2.141718 6.066234 0.858953
H 0.463499 6.122429 -0.849207
H -0.777007 5.207060 0.080469
H -0.216819 4.624367 -1.528087
H 5.431767 -3.203311 1.024280
H 6.663684 -2.610976 -0.153847
H 5.317743 -3.670465 -0.719521
H -4.686779 1.431941 1.749957
H -5.443364 -0.170189 1.378866
H -6.182439 1.357381 0.737536
H -4.673015 -2.811613 -1.572795
H -5.525422 -1.254807 -1.217718
H -6.088162 -2.796454 -0.448139


