%chk=000027249.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027249

0 1
 O    1.764100       1.531000      -1.176600    
 N  -0.4172000      -1.183600       1.275700    
 N  -0.4268000      -1.223300      -1.177800    
 C  -0.3202000      0.9868000      1.3800000E-02
 C    1.685200     -0.5883000      2.9899999E-02
 C    1.239400      0.9092000     -6.0000003E-04
 C  -0.8352000      0.2339000       1.274400    
 C  -0.8506000      0.1916000      -1.216000    
 C    1.059700      -1.251000       1.296800    
 C    1.049700      -1.296100      -1.207700    
 C  -0.9149000      -1.888800      6.2600002E-02
 C  -0.8188000       2.394100      1.1000000E-02
 C    3.170900     -0.7299000      3.8899999E-02
 C   -2.403000      -2.076100      7.2400004E-02
 C  -0.4882000       3.251600       1.059400    
 C    3.916000     -0.1852000       1.084300    
 C   -1.614400       2.848700      -1.039700    
 C    3.812600      -1.406500     -0.9977000    
 C   -3.100600      -2.113800      -1.130100    
 C   -3.072800      -2.210400       1.283700    
 C  -0.9539000       4.566400       1.056900    
 C    5.304500     -0.3175000       1.092900    
 C   -2.080100       4.163600      -1.042000    
 C    5.201200      -1.538700     -0.9890000    
 C   -1.749900       5.022500      6.2000002E-03
 C    5.947200     -0.9942000      5.6299999E-02
 C   -4.484500      -2.288000      -1.121100    
 C   -4.456800      -2.384600       1.292700    
 C   -5.162600      -2.423400      9.0300001E-02
 H    1.649400       1.452900      0.8590000    
 H  -0.4622000      0.7002000       2.195900    
 H   -1.927300      0.3157000       1.346400    
 H   -1.944000      0.2351000      -1.269700    
 H  -0.4882000      0.6204000      -2.160500    
 H    1.372300      -2.301800       1.373400    
 H    1.419000     -0.7754000       2.218500    
 H    1.392300     -0.8575000      -2.154300    
 H    1.318800      -2.360800      -1.241600    
 H  -0.5203000      -2.916100      7.7100001E-02
 H    2.728600       1.594500      -1.075700    
 H   0.1321000       2.924000       1.888600    
 H    3.441700      0.3482000       1.902900    
 H   -1.905100       2.249400      -1.893700    
 H    3.305000      -1.849800      -1.845700    
 H   -2.608900      -2.042400      -2.095600    
 H   -2.552200      -2.206700       2.236900    
 H  -0.6962000       5.235500       1.872600    
 H    5.885600      0.1069000       1.906500    
 H   -2.697900       4.520700      -1.861000    
 H    5.703000      -2.064100      -1.796500    
 H   -2.111900       6.046400      3.8999999E-03
 H    7.028400      -1.096600      6.2799998E-02
 H   -5.033800      -2.325200      -2.057400    
 H   -4.984500      -2.495300       2.235600    
 H   -6.239800      -2.561700      9.7199999E-02


%chk=000027249-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027249

0 1
O 1.695882 1.521568 -1.286999
N -0.453644 -1.187368 1.267834
N -0.480347 -1.260881 -1.211019
C -0.339395 0.981716 -0.056542
C 1.659079 -0.642852 -0.021458
C 1.212782 0.861323 -0.065414
C -0.862274 0.246428 1.235927
C -0.895525 0.175382 -1.275121
C 1.031345 -1.280939 1.276020
C 1.008206 -1.358574 -1.251221
C -0.970487 -1.906660 0.049617
C -0.779892 2.450476 -0.030197
C 3.188303 -0.741770 0.011916
C -2.487900 -2.095810 0.074020
C -0.384578 3.288521 1.048318
C 3.912871 -0.155795 1.089567
C -1.599929 3.015645 -1.039697
C 3.932805 -1.402225 -1.002069
C -3.205188 -2.271245 -1.135372
C -3.179088 -2.194326 1.306699
C -0.789747 4.637769 1.116287
C 5.319950 -0.233118 1.155300
C -2.010348 4.366654 -0.975761
C 5.343103 -1.481882 -0.939152
C -1.608955 5.185782 0.102127
C 6.044334 -0.899215 0.139194
C -4.594345 -2.526777 -1.112639
C -4.568373 -2.449468 1.329701
C -5.282344 -2.615511 0.120091
H 1.623703 1.384088 0.827151
H -0.476630 0.736398 2.149214
H -1.964121 0.309867 1.263303
H -1.999073 0.217374 -1.284236
H -0.517246 0.599855 -2.220798
H 1.329564 -2.343935 1.344822
H 1.410078 -0.767984 2.180275
H 1.356812 -0.889884 -2.188695
H 1.287254 -2.429608 -1.265738
H -0.502411 -2.912528 0.076204
H 2.687066 1.490360 -1.285256
H 0.254703 2.890650 1.846854
H 3.375085 0.366307 1.890177
H -1.918249 2.410244 -1.893552
H 3.417487 -1.861963 -1.850532
H -2.657653 -2.205614 -2.082034
H -2.613032 -2.070276 2.236378
H -0.468048 5.261543 1.958345
H 5.851497 0.224641 1.997322
H -2.641007 4.779493 -1.771612
H 5.892975 -1.998047 -1.734397
H -1.926177 6.233469 0.151470
H 7.137012 -0.961334 0.188160
H -5.138986 -2.658736 -2.054701
H -5.092896 -2.520759 2.289537
H -6.360108 -2.813974 0.137884


