%chk=000027207.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027207

1 1
 O  -0.8329000      0.7035000      -2.777000    
 N    2.703300     -0.9041000     -0.5026000    
 N   -1.818900      -1.337400      -2.525300    
 C    2.857500     -0.9176000       1.024200    
 C    3.893900     -0.3147000      -1.271000    
 C    1.435500     -0.1063000     -0.8427000    
 C    4.256800      -1.293300       1.500600    
 C    4.502900      0.9198000     -0.6142000    
 C   0.2352000     -0.7715000     -0.1588000    
 C    2.482000      -2.339500      -1.002600    
 C    5.164700     -7.5900003E-02   1.665600    
 C    5.622700      0.5692000      0.3641000    
 C   -1.164700     -0.1060000     -0.4685000    
 C   -1.274200       1.357900      4.4500001E-02
 C   -2.317700     -0.9077000      0.2056000    
 C   -1.268300     -0.1715000      -2.028300    
 C  -0.5905000       1.684900       1.178800    
 C   -3.595400     -0.4989000     -3.5300002E-02
 C   -2.047400       2.224400     -0.6713000    
 C   -1.974600      -1.966000      0.9930000    
 C  -0.6887000       2.997900       1.639000    
 C   -4.628000      -1.216600      0.5683000    
 C   -2.145600       3.537500     -0.2110000    
 C   -3.007300      -2.683700       1.596600    
 C   -1.466300       3.924300      0.9441000    
 C   -4.334000      -2.309100       1.384300    
 H    2.563700      6.6299997E-02   1.408500    
 H    2.164500      -1.666000       1.423100    
 H    4.648500      -1.101700      -1.385400    
 H    3.530500     -7.0500001E-02  -2.276300    
 H    1.346900     -0.1130000      -1.932600    
 H    1.588200      0.9231000     -0.5067000    
 H    4.725900      -2.050300      0.8636000    
 H    4.155600      -1.750100       2.493800    
 H    3.751900       1.556800     -0.1362000    
 H    4.954400       1.525300      -1.410800    
 H   0.3884000     -0.8157000      0.9197000    
 H   0.1567000      -1.798700     -0.5280000    
 H    1.809800      -2.885500     -0.3365000    
 H    2.101600      -2.303700      -2.027800    
 H    3.446600      -2.857000     -0.9895000    
 H    6.056800     -0.3795000       2.227700    
 H    4.659300      0.6766000       2.284000    
 H    6.168600       1.487800      0.6131000    
 H    6.348500     -8.8799998E-02 -0.1302000    
 H   3.0000001E-04  0.9929000       1.763300    
 H   -3.863400      0.3194000     -0.6897000    
 H   -2.602400       1.961900      -1.564100    
 H  -0.9760000      -2.317800       1.207500    
 H   -1.911300      -1.473200      -3.526700    
 H   -2.112200      -2.114600      -1.943900    
 H  -0.1651000       3.298000       2.542100    
 H   -5.661600     -0.9304000      0.3965000    
 H   -2.754000       4.258300     -0.7497000    
 H   -2.779700      -3.534700       2.232100    
 H   -1.544700       4.946100       1.303800    
 H   -5.138100      -2.869100       1.852600    


%chk=000027207-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000027207

1 1
O -0.280569 -1.348947 -2.517660
N 2.754649 -0.692224 -0.513975
N -2.567017 -1.036875 -2.385985
C 3.069834 -1.345583 0.852673
C 3.792896 0.391198 -0.919170
C 1.362617 -0.005758 -0.463603
C 4.556429 -1.646543 1.133644
C 4.304173 1.306059 0.210089
C 0.233114 -0.867238 0.141788
C 2.758564 -1.754957 -1.613467
C 5.308953 -0.481646 1.824284
C 5.557073 0.757527 0.936283
C -1.185081 -0.434715 -0.386658
C -1.258051 1.115347 -0.365850
C -2.304917 -1.081902 0.472515
C -1.305946 -0.982569 -1.856371
C -1.204306 1.781567 0.889404
C -3.529714 -0.401033 0.707580
C -1.306034 1.898771 -1.544643
C -2.171286 -2.408667 0.961066
C -1.200854 3.190013 0.962329
C -4.581792 -1.023000 1.416955
C -1.305561 3.312590 -1.473671
C -3.220192 -3.029506 1.673811
C -1.251235 3.963833 -0.222251
C -4.432030 -2.340112 1.905211
H 2.677267 -0.662531 1.625300
H 2.463851 -2.265964 0.876093
H 4.641645 -0.145072 -1.377005
H 3.290362 0.969217 -1.713808
H 1.127098 0.243271 -1.509005
H 1.499477 0.925993 0.109498
H 5.087725 -1.971977 0.217480
H 4.575607 -2.522406 1.809443
H 3.499885 1.548897 0.932190
H 4.569562 2.268910 -0.266000
H 0.233532 -0.782614 1.242525
H 0.382589 -1.929147 -0.116771
H 1.861126 -2.381733 -1.530258
H 2.727809 -1.252640 -2.591529
H 3.674328 -2.358113 -1.521030
H 6.283254 -0.856119 2.189602
H 4.736629 -0.185032 2.726619
H 5.986820 1.561457 1.562254
H 6.325283 0.519224 0.172840
H -1.192008 1.194297 1.815648
H -3.658906 0.629126 0.357432
H -1.359061 1.417481 -2.527266
H -1.254042 -2.980744 0.782139
H -2.686673 -1.384030 -3.338567
H -3.392014 -0.834974 -1.819758
H -1.171098 3.684164 1.939477
H -5.514549 -0.475794 1.590350
H -1.353572 3.900800 -2.396375
H -3.094376 -4.053184 2.042515
H -1.257193 5.057453 -0.167539
H -5.245874 -2.822046 2.456576


