%chk=000163996.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163996

0 1
 O  -0.1124000      -2.494400      0.3788000    
 O    4.387800       3.475500      0.3556000    
 O   -7.584500       1.937000      8.1600003E-02
 N    2.220400       2.982400     -0.2816000    
 N   -1.900700     -0.8606000     -0.4554000    
 N    6.247900      0.6961000       1.071300    
 C    1.530600      0.6504000     -0.2253000    
 C    2.934800      0.2078000     -2.0800000E-02
 C   0.4973000     -0.3021000     -0.2005000    
 C    1.200500       1.999800     -0.4110000    
 C    3.251800      -1.263500     -6.3900001E-02
 C    2.196500      -2.185000      5.9500001E-02
 C  -0.8327000      6.4599998E-02 -0.4314000    
 C   0.7948000      -1.716500      0.1089000    
 C    3.836600       1.179900      0.2592000    
 C  -0.1370000       2.355800     -0.6645000    
 C    3.505800       2.643900      0.1243000    
 C   -1.143700       1.393200     -0.6817000    
 C    4.528600      -1.797700     -0.3142000    
 C    2.425900      -3.570800      5.9099998E-02
 C    1.890800       4.389700     -0.4987000    
 C   -3.269700     -0.7409000     -0.1558000    
 C    4.760900      -3.177900     -0.3236000    
 C    3.713000      -4.064000     -0.1174000    
 C    5.167900      0.9128000      0.7075000    
 C   -4.204100      -1.546200     -0.8112000    
 C   -3.700600      0.1837000      0.7985000    
 C   -5.988900     -0.5035000      0.4395000    
 C   -5.561900      -1.427600     -0.5139000    
 C   -5.058300      0.3022000       1.095700    
 C   -7.440500     -0.3759000      0.7565000    
 C   -8.156800      0.6518000     -0.1249000    
 H  -0.4323000       3.387000     -0.8360000    
 H   -2.154900       1.719900     -0.9070000    
 H    5.378000      -1.171900     -0.5623000    
 H   -1.637400      -1.778700     -0.8012000    
 H    1.608800      -4.279400      0.1661000    
 H    2.778400       5.024500     -0.4227000    
 H    1.176200       4.717200      0.2630000    
 H    1.474100       4.519000      -1.502500    
 H    5.762100      -3.555600     -0.5107000    
 H    3.891600      -5.134800     -0.1294000    
 H   -3.884600      -2.269500      -1.557300    
 H   -2.997800      0.8065000       1.345200    
 H   -6.277300      -2.059400      -1.033700    
 H   -5.376300       1.022000       1.845300    
 H   -7.551900     -8.9800000E-02   1.810500    
 H   -7.933600      -1.350400      0.6536000    
 H   -9.215200      0.7052000      0.1474000    
 H   -8.087200      0.3999000      -1.188500    
 H   -6.736000       1.963100     -0.3919000    


%chk=000163996-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000163996

0 1
O -0.147151 -2.706437 -0.258223
O 4.524993 3.536971 -0.204142
O -7.735598 1.979560 -0.344340
N 2.255032 2.953589 -0.216765
N -1.904801 -0.869552 -0.164080
N 6.571830 0.926937 -0.166871
C 1.572786 0.582872 -0.189924
C 2.975829 0.163572 -0.164688
C 0.491129 -0.374212 -0.187474
C 1.253504 1.979932 -0.220717
C 3.280759 -1.289406 -0.126467
C 2.201981 -2.233483 -0.151642
C -0.887358 0.065805 -0.180893
C 0.790303 -1.804198 -0.201327
C 3.954819 1.185069 -0.175973
C -0.115658 2.391630 -0.277581
C 3.638700 2.628103 -0.199959
C -1.152989 1.471590 -0.254703
C 4.603275 -1.822221 -0.066411
C 2.451816 -3.630512 -0.126755
C 1.922073 4.395499 -0.234544
C -3.296472 -0.674127 0.034011
C 4.841067 -3.207745 -0.037841
C 3.763007 -4.125434 -0.070052
C 5.376359 0.992627 -0.167972
C -4.187201 -1.579039 -0.608133
C -3.835821 0.308991 0.907579
C -6.129037 -0.488026 0.448508
C -5.575960 -1.484514 -0.399657
C -5.231005 0.400837 1.097059
C -7.631081 -0.340204 0.618623
C -8.249022 0.608780 -0.445873
H -0.359311 3.452878 -0.356324
H -2.183936 1.821327 -0.338916
H 5.468171 -1.163547 -0.039843
H -1.527722 -1.851722 -0.258248
H 1.585002 -4.296900 -0.151237
H 2.876704 4.940668 -0.195241
H 1.307744 4.665509 0.641623
H 1.389014 4.665580 -1.162933
H 5.873354 -3.569972 0.009309
H 3.950214 -5.203910 -0.048805
H -3.778167 -2.350351 -1.270383
H -3.170465 0.963300 1.479204
H -6.242348 -2.195818 -0.902402
H -5.628560 1.146429 1.795695
H -7.865088 0.070832 1.617956
H -8.131956 -1.324273 0.537309
H -9.334682 0.705424 -0.280517
H -8.079156 0.195617 -1.463197
H -6.754118 1.960475 -0.487724


