%chk=000078339.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078339

0 1
 O   -3.530900      0.2828000      9.9999997E-05
 O    3.530900      0.2829000     -3.9999999E-04
 O   -2.598800      -1.822000     -1.4000000E-03
 O    2.599000      -1.822000      7.9999998E-04
 N    0.000000       2.207900     -3.9999999E-04
 C   -1.202600      0.1108000      5.0000002E-04
 C    1.202500      0.1106000      1.1000000E-03
 C    0.000000     -0.5873000      1.2000001E-03
 C   -1.148800       1.495200     -9.9999997E-05
 C    1.148700       1.495200      9.9999997E-05
 C   -2.475400     -0.5888000     -7.9999998E-04
 C    2.475500     -0.5889000      1.0000000E-03
 C   -4.843800     -0.2882000      9.9999997E-05
 C    4.843800     -0.2881000     -1.9000000E-03
 H  -9.9999997E-05  -1.674600      1.4000000E-03
 H   -2.036600       2.119500     -1.0000000E-03
 H    2.036400       2.119400     -3.0000001E-04
 H   -5.570400      0.5285000      8.9999998E-04
 H   -4.991600     -0.8929000      0.8998000    
 H   -4.992100     -0.8919000     -0.9000000    
 H    4.990900     -0.8922000     -0.9019000    
 H    4.992900     -0.8921000      0.8979000    
 H    5.570300      0.5287000     -2.7000001E-03


%chk=000078339-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078339

0 1
O -3.606683 0.286369 0.000550
O 3.606659 0.286482 -0.000875
O -2.598720 -1.816381 -0.000153
O 2.598758 -1.816298 -0.000671
N -0.000046 2.322804 -0.000387
C -1.216976 0.194215 -0.000052
C 1.216954 0.194256 -0.000632
C 0.000000 -0.525042 -0.000336
C -1.166894 1.614206 -0.000110
C 1.166825 1.614244 -0.000635
C -2.502301 -0.565956 0.000274
C 2.502300 -0.565875 -0.000931
C -4.929955 -0.383486 0.000567
C 4.929951 -0.383333 -0.000822
H 0.000018 -1.619843 -0.000331
H -2.092494 2.196659 0.000117
H 2.092406 2.196726 -0.000865
H -5.658811 0.438223 0.000676
H -5.036744 -1.013615 0.899276
H -5.036852 -1.013472 -0.898230
H 5.036885 -1.013306 -0.899624
H 5.036737 -1.013473 0.897880
H 5.658782 0.438396 -0.000689


