%chk=000028303.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028303

0 1
 O   0.1130000       1.443100      -1.093900    
 N  -3.2900002E-02  -2.174200      -1.066900    
 N  -3.2800000E-02  -2.051700       1.389800    
 C    1.311900     -0.3829000      7.4900001E-02
 C   -1.236600     -0.2778000      7.0299998E-02
 C   7.5400002E-02  0.5714000      3.5900000E-02
 C    1.202100      -1.365900      -1.129900    
 C    1.204800      -1.246000       1.370300    
 C   -1.200800      -1.268200      -1.136900    
 C   -1.203400      -1.146500       1.368400    
 C  -0.1044000      -2.935100      0.2019000    
 C    2.598800      0.3716000      2.5699999E-02
 C   -2.457600      0.5781000      1.6000001E-02
 C   -1.306400      -3.890700      0.2478000    
 C    3.502400      0.1403000      -1.010800    
 C   -3.372800      0.4211000      -1.024500    
 C    2.895800       1.307400       1.015900    
 C   -2.683100       1.534100       1.006100    
 C    4.705000      0.8454000      -1.057000    
 C   -4.514400       1.221000      -1.075200    
 C    4.098300       2.012700      0.9694000    
 C   -3.824800       2.333900      0.9553000    
 C    5.002900       1.781600     -6.7100003E-02
 C   -4.740400       2.177300     -8.5400000E-02
 H   9.4200000E-02   1.227100      0.9158000    
 H    1.215400     -0.8391000      -2.093600    
 H    2.038700      -2.077800      -1.142500    
 H    2.070000      -1.918500       1.451300    
 H    1.237500     -0.6218000       2.272600    
 H   -2.106300      -1.881300      -1.202300    
 H   -1.141800     -0.7266000      -2.091700    
 H   -1.156100     -0.5070000       2.260400    
 H   -2.137800      -1.706700       1.493000    
 H   0.7743000      -3.594900      0.2350000    
 H   -2.286900      -3.409200      0.2363000    
 H   -1.272700      -4.577500     -0.6062000    
 H   -1.260600      -4.505200       1.154700    
 H   0.8716000       2.040800     -0.9874000    
 H    3.346200     -0.5628000      -1.819600    
 H   -3.269300     -0.2872000      -1.836800    
 H    2.210300       1.505200       1.834800    
 H   -1.988000       1.675400       1.828700    
 H    5.409800      0.6676000      -1.864300    
 H   -5.227100       1.102100      -1.886200    
 H    4.330800       2.741600       1.740300    
 H   -4.001300       3.078400       1.726100    
 H    5.939100       2.331000     -0.1032000    
 H   -5.629000       2.800400     -0.1251000    


%chk=000028303-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028303

0 1
O 0.072276 1.247294 -1.334544
N -0.066261 -2.279323 -1.068222
N -0.079984 -2.070363 1.404188
C 1.311076 -0.462321 0.021470
C -1.259416 -0.312893 -0.014342
C 0.070374 0.494986 -0.070927
C 1.199202 -1.490506 -1.152585
C 1.180802 -1.280328 1.362265
C -1.234334 -1.353760 -1.185133
C -1.240408 -1.138792 1.330992
C -0.090408 -3.025286 0.234822
C 2.608245 0.353409 0.005899
C -2.475639 0.619741 -0.033860
C -1.229698 -4.048414 0.319055
C 3.577750 0.223690 -1.024928
C -3.464770 0.552209 -1.048182
C 2.871447 1.290147 1.046527
C -2.654175 1.577595 1.002043
C 4.765238 0.991014 -1.013336
C -4.590813 1.406070 -1.029379
C 4.055233 2.057424 1.061055
C -3.775427 2.433144 1.024973
C 5.011375 1.911184 0.029058
C -4.754160 2.350509 0.007504
H 0.102898 1.206143 0.784843
H 1.209868 -0.962858 -2.123320
H 2.051662 -2.195974 -1.126013
H 2.042432 -1.967598 1.455660
H 1.199663 -0.601318 2.235777
H -2.162759 -1.951503 -1.188526
H -1.159064 -0.830082 -2.153751
H -1.188665 -0.458678 2.201838
H -2.181999 -1.707510 1.422216
H 0.867608 -3.578656 0.288043
H -2.232968 -3.590568 0.293193
H -1.154542 -4.747003 -0.531306
H -1.141917 -4.616253 1.260539
H 0.896505 1.797538 -1.366318
H 3.414080 -0.479160 -1.847556
H -3.358123 -0.158740 -1.872767
H 2.147073 1.424976 1.859044
H -1.907686 1.667253 1.801274
H 5.496339 0.870475 -1.820932
H -5.337934 1.336283 -1.828429
H 4.232727 2.768549 1.875873
H -3.886730 3.163309 1.835000
H 5.931580 2.505600 0.038343
H -5.626575 3.013345 0.023065


