%chk=000005097.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005097

0 1
 O    5.470500      -1.879800       1.387900    
 N    1.747600       2.693000     -0.1591000    
 N    2.059000      -2.043000      4.6100002E-02
 N    2.115000      0.2939000     -5.8600001E-02
 N  -0.4808000       2.741000     -0.1119000    
 N   1.8000000E-03 -0.9228000      4.2399999E-02
 N   -2.119900      0.1841000      3.7700001E-02
 C    3.106900       3.174300     -0.2096000    
 C    3.506600      -2.132500      1.4700000E-02
 C    1.342600       1.390200     -9.1399997E-02
 C  -4.1900001E-02   1.441700     -6.3500002E-02
 C    3.931700      -3.538300     -0.4276000    
 C  -0.7152000      0.2262000      5.7000001E-03
 C    1.368300     -0.8468000      9.3000000E-03
 C   0.6169000       3.466100     -0.1683000    
 C    3.888200       2.816300       1.056000    
 C    3.833300       2.706000      -1.471900    
 C    4.049000      -1.813300       1.408000    
 C    3.393500      -3.910100      -1.803500    
 C   -2.863700      -1.038400      0.1088000    
 C   -4.340900     -0.7586000      9.1100000E-02
 C   -5.015500     -0.5606000       1.288900    
 C   -5.013300     -0.7019000      -1.122900    
 C   -6.386100     -0.3015000       1.272500    
 C   -6.383700     -0.4427000      -1.139300    
 C   -7.070000     -0.2425000      5.8400001E-02
 H    3.045200       4.269700     -0.2559000    
 H    3.924000      -1.426400     -0.7157000    
 H    3.584300      -4.285800      0.2967000    
 H    5.025600      -3.607200     -0.4567000    
 H    1.510300      -2.886700      0.1662000    
 H   0.6515000       4.546000     -0.2170000    
 H    4.058300       1.738500       1.143500    
 H    4.868100       3.305700       1.051700    
 H    3.352400       3.144000       1.953700    
 H    3.260500       2.960100      -2.370700    
 H    4.813700       3.188000      -1.550300    
 H    3.996300       1.623300      -1.475200    
 H    3.761700     -0.8145000       1.750700    
 H    3.686400      -2.532400       2.150600    
 H   -2.607600       1.073300      1.1500000E-02
 H    3.781300      -4.888600      -2.104800    
 H    2.301100      -3.971800      -1.810000    
 H    3.703200      -3.178100      -2.556200    
 H   -2.607300      -1.694800     -0.7327000    
 H   -2.606200      -1.591900       1.021000    
 H    5.785100      -1.215200      0.7514000    
 H   -4.492000     -0.6024000       2.239900    
 H   -4.488100     -0.8544000      -2.061600    
 H   -6.920500     -0.1451000       2.205100    
 H   -6.916400     -0.3963000      -2.084700    
 H   -8.137000     -4.0399998E-02  4.5499999E-02


%chk=000005097-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005097

0 1
O 5.520716 -2.025573 0.784468
N 1.853299 2.874661 -0.068071
N 1.768452 -1.938464 0.329389
N 2.037090 0.392618 0.093443
N -0.368652 3.113463 0.480832
N -0.121560 -0.638670 0.733419
N -2.073646 0.653164 1.141410
C 3.237307 3.261825 -0.446804
C 3.164166 -2.215095 -0.040014
C 1.366183 1.581541 0.160857
C -0.002277 1.755493 0.497098
C 3.300337 -3.645267 -0.604128
C -0.746957 0.571878 0.797293
C 1.218036 -0.673324 0.386883
C 0.766294 3.747758 0.138692
C 4.233996 2.866377 0.666446
C 3.614616 2.653482 -1.816522
C 4.101944 -1.988903 1.177936
C 2.619684 -3.839152 -1.975650
C -2.905785 -0.504266 1.489981
C -4.119338 -0.674848 0.579063
C -5.385890 -0.997062 1.125024
C -3.991554 -0.545856 -0.827710
C -6.504768 -1.197284 0.283695
C -5.107435 -0.742472 -1.669871
C -6.368636 -1.070680 -1.117401
H 3.220167 4.365711 -0.536965
H 3.448986 -1.479507 -0.820304
H 2.883493 -4.365083 0.132569
H 4.380999 -3.868519 -0.679138
H 1.139486 -2.706814 0.564335
H 0.871038 4.824799 0.022700
H 4.238307 1.770901 0.799021
H 5.252840 3.196636 0.395338
H 3.959758 3.334142 1.628282
H 2.906647 2.974616 -2.600666
H 4.629390 2.979767 -2.106976
H 3.598035 1.551732 -1.758976
H 3.846135 -1.026574 1.663005
H 3.993914 -2.807271 1.910466
H -2.483198 1.589978 1.148598
H 2.724445 -4.881744 -2.326991
H 1.540888 -3.601481 -1.932051
H 3.074911 -3.178972 -2.737461
H -2.239198 -1.383568 1.418447
H -3.241284 -0.427947 2.543685
H 5.706956 -1.233910 0.218483
H -5.498859 -1.090490 2.212845
H -3.015730 -0.288362 -1.255467
H -7.479110 -1.444586 0.720300
H -4.996012 -0.640834 -2.755490
H -7.234827 -1.221360 -1.771444


