%chk=000017547.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017547

0 1
 O   0.3062000      -2.138300      -1.420800    
 N   0.2909000      2.0199999E-02  0.2591000    
 N   0.5647000      -3.552200      0.4038000    
 N   0.2085000      -4.676800     -0.3127000    
 C   0.6295000       1.139000       1.132900    
 C   -1.157700     -0.1864000      0.2262000    
 C    2.136100       1.401000       1.093800    
 C   -1.860200       1.083500     -0.2573000    
 C    2.659500       1.743200     -0.3142000    
 C   -3.393000      0.9442000     -0.3262000    
 C   0.9686000      -1.199800      0.6996000    
 C    4.165200       2.011200     -0.3289000    
 C    1.913300       2.962000     -0.8630000    
 C   -4.075800       2.227400     -0.8019000    
 C   -3.940200      0.5473000       1.047300    
 C   0.5845000      -2.325600     -0.2375000    
 H   0.1512000       2.080700      0.8649000    
 H   0.3331000      0.9299000       2.169700    
 H   -1.470500     -0.9896000     -0.4464000    
 H   -1.502700     -0.4579000       1.230700    
 H    2.713200      0.5781000       1.528900    
 H    2.338900       2.254000       1.756800    
 H   -1.482700       1.359300      -1.250500    
 H   -1.682500       1.935500      0.4040000    
 H    2.480400      0.8983000     -0.9900000    
 H   -3.642400      0.1482000      -1.039300    
 H    2.057600      -1.134500      0.6142000    
 H   0.7118000      -1.455400       1.735000    
 H    4.714500       1.140000      4.2900000E-02
 H    4.421200       2.868100      0.3033000    
 H    4.516500       2.220400      -1.344800    
 H    2.366600       3.298800      -1.802300    
 H    1.943100       3.802200     -0.1610000    
 H   0.8679000       2.733900      -1.090300    
 H   -3.702400       2.518900      -1.789100    
 H   -3.889100       3.056600     -0.1110000    
 H   -5.159100       2.088000     -0.8812000    
 H   -5.035700      0.5791000       1.048700    
 H   -3.587000       1.223800       1.833000    
 H   -3.661100     -0.4759000       1.315800    
 H   0.8044000      -3.665300       1.383600    
 H   0.9734000      -5.343300     -0.2162000    
 H  -0.5889000      -5.092400      0.1669000    


%chk=000017547-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017547

0 1
O 1.292489 -2.092392 -1.239975
N 0.323316 -0.002799 0.765625
N 0.252396 -3.504597 0.281848
N 0.088989 -4.585102 -0.627045
C 0.878781 1.144198 1.526887
C -1.159219 -0.095098 0.793787
C 2.334546 1.499404 1.141864
C -1.856644 1.017582 -0.018888
C 2.571311 1.737021 -0.372789
C -3.374318 0.777187 -0.240903
C 0.970436 -1.286385 1.083887
C 4.079918 1.937465 -0.649853
C 1.757420 2.941792 -0.900669
C -3.944995 1.840494 -1.209448
C -4.172892 0.771518 1.086255
C 0.857218 -2.299520 -0.071568
H 0.234833 2.016464 1.321398
H 0.827034 0.968709 2.634105
H -1.438839 -1.067961 0.342855
H -1.542667 -0.105918 1.846788
H 3.026378 0.704571 1.490223
H 2.617540 2.412218 1.708240
H -1.346118 1.077732 -0.999727
H -1.729703 2.002877 0.474993
H 2.225796 0.830445 -0.908021
H -3.493023 -0.219300 -0.719401
H 2.050575 -1.114166 1.234086
H 0.580050 -1.742947 2.033624
H 4.670828 1.065163 -0.311117
H 4.465329 2.833838 -0.124033
H 4.269702 2.073636 -1.730808
H 1.969444 3.116005 -1.972158
H 2.017679 3.867877 -0.349790
H 0.670092 2.772952 -0.802136
H -3.410372 1.829731 -2.177442
H -3.844491 2.855858 -0.778775
H -5.018452 1.664514 -1.409519
H -5.253819 0.635917 0.894559
H -4.043571 1.733306 1.620445
H -3.848766 -0.038870 1.764162
H -0.123094 -3.656282 1.219481
H 1.008702 -4.941774 -0.925390
H -0.450020 -4.275961 -1.449157


