%chk=000037127.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037127

0 1
 O   -3.742600     -9.6600004E-02  1.9999999E-04
 O   -2.440000      -1.976300      1.9999999E-04
 O    1.189700       3.273000      1.0000000E-03
 O  -0.8961000       2.588500     -9.9999997E-05
 O    4.400200      -2.026400      6.9999998E-04
 O    4.808200      0.1306000     -6.0000003E-04
 N   -1.509400      0.1757000     -3.0000001E-04
 N   0.3354000       2.356100      3.0000001E-04
 N    4.006500     -0.8348000      9.9999997E-05
 C  -0.1299000     -5.4200001E-02 -3.9999999E-04
 C   0.7792000       1.003800     -6.9999998E-04
 C   0.3316000      -1.370500      9.9999997E-05
 C    2.150100      0.7454000     -6.0000003E-04
 C    2.611500     -0.5710000     -9.9999997E-05
 C    1.702200      -1.628900      1.9999999E-04
 C   -2.542200     -0.7556000      3.0000001E-04
 C   -4.913200     -0.9221000       0.000000    
 C   -6.141100     -3.6699999E-02 -1.9999999E-04
 H  -0.3028000      -2.245000      3.9999999E-04
 H    2.862600       1.567000     -6.0000003E-04
 H    2.026900      -2.666400      6.0000003E-04
 H   -1.823900       1.138900     -6.0000003E-04
 H   -4.913000      -1.554800     -0.8945000    
 H   -4.913200      -1.554900      0.8944000    
 H   -7.055700     -0.6363000     -3.0000001E-04
 H   -6.145900      0.6155000      0.8794000    
 H   -6.145600      0.6157000     -0.8797000    


%chk=000037127-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037127

0 1
O -3.770156 -0.112182 -0.000152
O -2.464599 -2.063231 0.000132
O 1.259901 3.312064 -0.000029
O -0.920226 2.678078 -0.000105
O 4.498785 -2.036488 0.000397
O 4.883993 0.215307 0.000203
N -1.535264 0.133699 -0.000159
N 0.358106 2.397882 -0.000087
N 4.098060 -0.808341 -0.000011
C -0.166423 -0.111337 -0.000072
C 0.777413 0.982297 -0.000090
C 0.368189 -1.439343 0.000003
C 2.169400 0.753403 -0.000070
C 2.638587 -0.564907 -0.000020
C 1.746233 -1.666083 0.000032
C -2.571012 -0.813496 -0.000084
C -5.012170 -0.950164 -0.000019
C -6.189367 0.017030 -0.000095
H -0.334365 -2.274502 0.000014
H 2.863829 1.597075 -0.000087
H 2.151747 -2.681240 0.000071
H -1.800934 1.136727 -0.000339
H -4.989295 -1.595643 -0.896237
H -4.989244 -1.595440 0.896344
H -7.135361 -0.553943 -0.000003
H -6.173137 0.661340 0.894988
H -6.173190 0.661136 -0.895326


