%chk=000125663.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125663

0 1
 O    4.328700      -1.910700     -1.9999999E-04
 N    1.342700      -1.511800      3.0000001E-04
 N   -4.562000      0.9860000      6.0000003E-04
 C   0.2794000      0.4466000     -1.9999999E-04
 C   9.4700001E-02 -0.9340000     -1.9999999E-04
 C    1.689600      0.6901000     -9.9999997E-05
 C  -0.8592000       1.279200     -3.0000001E-04
 C   -1.172100      -1.531100     -3.9999999E-04
 C    2.326100     -0.5512000      3.0000001E-04
 C   -2.145100      0.7044000     -9.9999997E-05
 C   -2.302600     -0.6956000     -3.0000001E-04
 C    2.484600       1.855600     -3.9999999E-04
 C  -0.7118000       2.772700     -3.9999999E-04
 C    3.719000     -0.6880000      6.0000003E-04
 C   -1.300200      -3.022800     -3.0000001E-04
 C   -3.596200      -1.229300       0.000000    
 C   -3.304400       1.482200      3.0000001E-04
 C    3.878800       1.735100     -9.9999997E-05
 C    4.484700      0.4809000      3.9999999E-04
 C   -4.674800     -0.3583000      3.0000001E-04
 H    1.520500      -2.505900      5.0000002E-04
 H    2.061800       2.852900      2.2800000E-02
 H   -1.543700       3.306900     -0.4632000    
 H  -0.5750000       3.141200       1.020500    
 H   0.1363000       3.078700     -0.6152000    
 H   -1.836200      -3.359800      0.8936000    
 H   -1.837100      -3.359900     -0.8935000    
 H  -0.3350000      -3.536100     -8.9999998E-04
 H   -3.795000      -2.295800     -1.9999999E-04
 H   -3.304700       2.565100      2.6900001E-02
 H    4.494600       2.630600      5.2999998E-03
 H    5.570300      0.4154000      1.8000000E-03
 H   -5.692100     -0.7360000      6.0000003E-04
 H    3.648800      -2.605000     -3.0000001E-04


%chk=000125663-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125663

0 1
O 4.361509 -1.958760 0.050764
N 1.341738 -1.551077 0.023024
N -4.644936 0.996040 -0.023525
C 0.242924 0.486034 -0.008362
C 0.066508 -0.956441 0.015293
C 1.690361 0.738392 0.007198
C -0.872638 1.343032 -0.034430
C -1.181656 -1.588120 0.026542
C 2.325860 -0.547450 0.025134
C -2.180139 0.731025 -0.021845
C -2.326195 -0.722732 0.011541
C 2.501742 1.901781 0.036538
C -0.663590 2.845757 -0.068814
C 3.730093 -0.685991 0.023516
C -1.328984 -3.097896 0.050228
C -3.665026 -1.245055 0.025551
C -3.396970 1.503308 -0.036929
C 3.905861 1.758767 0.082596
C 4.518966 0.478358 0.070762
C -4.759967 -0.384721 0.007475
H 1.520263 -2.536860 0.197926
H 2.060174 2.900570 0.033005
H -1.600835 3.415350 -0.137296
H -0.134588 3.188311 0.841081
H -0.038624 3.132010 -0.935403
H -1.852991 -3.441980 0.961917
H -1.911820 -3.460746 -0.817103
H -0.355291 -3.616547 0.020189
H -3.833267 -2.325650 0.051853
H -3.349478 2.596830 -0.059151
H 4.540433 2.650336 0.116502
H 5.607788 0.370198 0.088738
H -5.785384 -0.769558 0.018096
H 3.981559 -2.554217 -0.644112


