%chk=000026705.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026705

0 1
 O    1.413000     -0.6207000      -1.210900    
 N    3.919200     -0.1794000     -0.1447000    
 N   0.5229000      0.8799000      0.3600000    
 C   -5.052200     -0.1511000      9.1600001E-02
 C    2.887400      0.8448000      1.3700000E-02
 C   -3.587700      0.1197000      0.1626000    
 C    3.633000      -1.330000      0.7113000    
 C    5.238100      0.3719000      0.1642000    
 C  -0.8672000      0.6228000      0.2932000    
 C    1.537100      0.2656000     -0.3717000    
 C   -5.405100      -1.593900      0.5006000    
 C   -5.641600      0.1564000      -1.298200    
 C   -3.098600       1.087600       1.040000    
 C   -2.706500     -0.5947000     -0.6489000    
 C   -1.728600       1.340900       1.105800    
 C   -1.336400     -0.3415000     -0.5831000    
 C    4.688700      -2.406500      0.5655000    
 C    5.584400       1.528200     -0.7510000    
 H   -5.569700      0.5085000      0.8015000    
 H    2.870400       1.234300       1.039100    
 H    3.031900       1.686100     -0.6727000    
 H    3.563800      -1.036000       1.767000    
 H    2.680200      -1.802400      0.4540000    
 H    5.313200      0.6920000       1.211100    
 H    6.021100     -0.3735000     -8.1000002E-03
 H   -4.995300      -2.330100     -0.1994000    
 H   -6.491700      -1.729900      0.5288000    
 H   -5.011500      -1.823100       1.497100    
 H   -5.418200       1.186900      -1.596100    
 H   -6.730600      3.8100000E-02  -1.287900    
 H   -5.241300     -0.5102000      -2.069700    
 H   -3.771100       1.653500       1.679200    
 H   -3.066600      -1.352800      -1.339200    
 H   0.7901000       1.606700       1.020400    
 H   -1.358100       2.096900       1.792600    
 H  -0.7206000     -0.9350000      -1.242300    
 H    4.901600      -2.629400     -0.4857000    
 H    5.623600      -2.152300       1.074400    
 H    4.331000      -3.334400       1.026500    
 H    5.403300       1.282400      -1.803000    
 H    5.034300       2.440400     -0.5004000    
 H    6.648800       1.770200     -0.6520000    


%chk=000026705-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000026705

0 1
O 1.464768 -0.571920 -1.184779
N 4.056233 -0.081301 0.098664
N 0.510890 0.736250 0.517680
C -5.222534 -0.140214 0.042972
C 2.937906 0.858406 0.206169
C -3.711751 0.083830 0.145206
C 3.931608 -1.240780 1.020684
C 5.381496 0.585561 0.144735
C -0.883812 0.490674 0.353215
C 1.584670 0.245848 -0.230468
C -5.598030 -1.620220 0.325065
C -5.781712 0.316053 -1.331146
C -3.166781 0.937446 1.136783
C -2.804082 -0.557450 -0.737274
C -1.776363 1.141919 1.244325
C -1.410057 -0.368651 -0.648999
C 4.747179 -2.464344 0.562802
C 5.686982 1.428322 -1.108869
H -5.705737 0.482023 0.823778
H 2.830015 1.291553 1.241855
H 3.129020 1.714021 -0.469068
H 4.213371 -0.961841 2.069626
H 2.865766 -1.532169 1.041533
H 5.491800 1.220011 1.063870
H 6.144983 -0.208203 0.221316
H -5.147491 -2.292704 -0.428531
H -6.694928 -1.757809 0.288914
H -5.239435 -1.941040 1.319703
H -5.543838 1.377123 -1.526885
H -6.880454 0.193730 -1.364361
H -5.351202 -0.283713 -2.154562
H -3.839462 1.450179 1.835336
H -3.188243 -1.226696 -1.516714
H 0.757484 1.361815 1.289705
H -1.383321 1.810321 2.022258
H -0.725062 -0.872294 -1.333333
H 4.454856 -2.738516 -0.464914
H 5.836214 -2.277911 0.576733
H 4.550394 -3.323837 1.230210
H 5.564735 0.811368 -2.015520
H 5.025756 2.309191 -1.201649
H 6.726673 1.802869 -1.070867


