%chk=000039028.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039028

0 1
 O    2.077800     -0.3182000      6.0000003E-04
 O   -3.865200       1.880800      3.0000001E-04
 O    5.367100      0.8694000     -3.5000001E-03
 O    4.552200      -1.168900     -1.5000000E-03
 N  -0.5365000      -1.616800      1.0000000E-03
 N   -1.512900      0.3382000      1.0000000E-03
 N   -1.842100      -1.925500      5.0000002E-04
 N   -3.750200     -0.4777000     -3.9999999E-04
 N    4.372800      8.4799998E-02 -1.6000000E-03
 C  -0.3541000     -0.2720000      1.1000000E-03
 C   0.9092000      0.3754000      1.6000000E-03
 C   -2.390000     -0.7085000      1.9999999E-04
 C    1.150800       1.729400      2.0999999E-03
 C   0.4556000      -2.664100      5.0000002E-04
 C    3.076500      0.6031000      6.9999998E-04
 C    2.558400       1.877200      1.6000000E-03
 C   -4.383800      0.7694000     -1.9999999E-04
 C   -5.885500      0.6240000     -4.1000000E-03
 H   0.4137000       2.520600      2.6000000E-03
 H    1.063800      -2.571700     -0.9025000    
 H    1.064400      -2.571900      0.9030000    
 H  -4.5499999E-02  -3.636200      6.0000003E-04
 H    3.119100       2.801400      1.4000000E-03
 H   -4.324800      -1.316400     -1.4000000E-03
 H   -6.203800      9.9100001E-02 -0.9092000    
 H   -6.354000       1.611800      1.7100001E-02
 H   -6.206200      6.1000001E-02  0.8770000    


%chk=000039028-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039028

0 1
O 2.146966 -0.334127 0.000268
O -4.074565 1.933734 0.004072
O 5.503079 0.919117 0.000241
O 4.692486 -1.237313 0.000619
N -0.526975 -1.581983 0.000403
N -1.488624 0.465226 -0.000524
N -1.899264 -1.825575 0.000286
N -3.810960 -0.405951 -0.000904
N 4.538575 0.048529 0.000479
C -0.299389 -0.213448 0.000007
C 0.976245 0.452478 0.000042
C -2.422007 -0.546063 -0.000360
C 1.311376 1.811401 -0.000120
C 0.409984 -2.714063 0.000906
C 3.210141 0.581162 0.000243
C 2.739998 1.892236 0.000005
C -4.574978 0.783250 -0.000534
C -6.080219 0.510536 -0.003266
H 0.591201 2.625970 -0.000289
H 1.053944 -2.685510 -0.892579
H 1.054422 -2.684279 0.893997
H -0.191744 -3.633231 0.001694
H 3.360440 2.784472 -0.000061
H -4.315345 -1.296099 -0.001733
H -6.384951 -0.037808 -0.913981
H -6.610303 1.472953 0.023555
H -6.382736 -0.087915 0.876034


