%chk=000035404.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035404

0 1
 O   0.7846000      -1.111200      0.4085000    
 N  -0.2125000      0.8712000     -0.2752000    
 N    5.856600     -0.1623000      0.3004000    
 C   -1.586100      0.4379000     -0.1408000    
 C   -3.336900     -0.4328000       1.467200    
 C   -4.009800       1.122400     -0.3989000    
 C   -3.309700      -1.243000     -0.9201000    
 C   -1.877400      3.1300001E-02   1.320800    
 C   -2.547600       1.580100     -0.5377000    
 C   -1.850300     -0.7762000      -1.057400    
 C   -4.275700      0.7154000       1.060200    
 C   -3.579300      -1.637300      0.5420000    
 C   -4.248600     -9.0200000E-02  -1.314700    
 C   0.8656000      4.8999999E-02  1.4600000E-02
 C    2.187500      0.7715000     -0.1872000    
 C    3.413100     -8.9299999E-02  0.1186000    
 C    4.720000      0.6936000     -2.1000000E-02
 C    7.108800      0.5908000      0.2136000    
 C    5.897700      -1.321000     -0.5930000    
 H   -3.532300     -0.7187000       2.506700    
 H   -4.681900       1.939400     -0.6837000    
 H   -3.486600      -2.103800      -1.574800    
 H   -1.688100      0.8790000       1.992900    
 H   -1.223900     -0.7784000       1.662500    
 H   -2.354100       1.898100      -1.570800    
 H   -2.372100       2.461500      9.3300000E-02
 H   -1.196300      -1.622600     -0.8223000    
 H   -1.642000     -0.5121000      -2.102900    
 H   -4.123900       1.576300       1.722900    
 H   -5.320900      0.4038000       1.177300    
 H   -2.926400      -2.469800      0.8319000    
 H   -4.612300      -1.990300      0.6500000    
 H   -4.077300      0.1911000      -2.361000    
 H   -5.293300     -0.4159000      -1.239500    
 H  -3.4800000E-02   1.820700     -0.5907000    
 H    2.231000       1.120700      -1.226000    
 H    2.187500       1.655700      0.4621000    
 H    3.373300     -0.9395000     -0.5710000    
 H    3.329600     -0.4970000       1.134400    
 H    4.801800       1.103900      -1.036100    
 H    4.692100       1.543800      0.6719000    
 H    7.295900      0.9666000     -0.7989000    
 H    7.957100     -3.5100002E-02  0.5125000    
 H    7.093500       1.443900      0.9012000    
 H    5.117300      -2.049900     -0.3543000    
 H    6.839100      -1.869100     -0.4624000    
 H    5.823700      -1.040100      -1.650000    


%chk=000035404-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000035404

0 1
O 0.761079 -1.439963 -0.689114
N -0.182678 0.697218 -0.592167
N 5.768869 0.272455 0.493471
C -1.586529 0.310453 -0.278740
C -3.137327 -0.822652 1.388625
C -3.892730 1.280354 0.189983
C -3.671842 -0.898146 -1.089855
C -1.658990 -0.478479 1.062749
C -2.413724 1.618805 -0.141477
C -2.193877 -0.556117 -1.421814
C -3.955877 0.489290 1.525818
C -3.731698 -1.689590 0.245377
C -4.490918 0.413969 -0.951988
C 0.875308 -0.174992 -0.771641
C 2.227091 0.484831 -1.079818
C 3.320770 0.030113 -0.082483
C 4.722798 0.485407 -0.535079
C 7.033391 0.945692 0.132531
C 5.985790 -1.152187 0.820847
H -3.175047 -1.386348 2.341473
H -4.466518 2.223206 0.284856
H -4.092328 -1.515778 -1.907692
H -1.220055 0.139645 1.871687
H -1.051167 -1.395931 0.973526
H -2.362732 2.194121 -1.089563
H -1.982198 2.251070 0.662378
H -1.592294 -1.475464 -1.534111
H -2.132818 0.006381 -2.375199
H -3.549797 1.105511 2.353341
H -5.010714 0.258048 1.775252
H -3.161147 -2.634539 0.151527
H -4.781022 -1.959728 0.480197
H -4.471098 0.975595 -1.907860
H -5.551613 0.180662 -0.730758
H 0.013017 1.698024 -0.668375
H 2.520696 0.169081 -2.101326
H 2.149567 1.590296 -1.088906
H 3.263512 -1.070345 -0.004601
H 3.120074 0.446518 0.923114
H 4.977973 -0.032608 -1.500188
H 4.695666 1.571863 -0.754219
H 7.506791 0.537224 -0.797798
H 7.760516 0.839230 0.957694
H 6.850252 2.024123 -0.024036
H 5.060507 -1.601420 1.217686
H 6.761909 -1.233071 1.602837
H 6.316861 -1.759725 -0.061062


