%chk=000054984.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054984

0 1
 O    5.555400      -2.334200     -1.9000000E-03
 O   -5.555300      -2.334200      2.0000001E-03
 O    5.612800     -0.1354000     -7.9999998E-04
 O   -5.612700     -0.1354000      6.0000003E-04
 N    4.987600      -1.219200     -3.9999999E-04
 N   -4.987700      -1.219300      3.0000001E-04
 C   0.7060000       1.205900      3.0000001E-04
 C  -0.7060000       1.205900     -9.9999997E-05
 C    1.416500     -1.7999999E-02  6.0000003E-04
 C   -1.416500     -1.7999999E-02 -3.9999999E-04
 C   0.7179000      -1.254300      1.9999999E-04
 C  -0.7180000      -1.254300     -9.9999997E-05
 C    1.407300       2.437200      6.0000003E-04
 C   -1.407400       2.437200     -5.0000002E-04
 C    2.837800      1.2900000E-02  8.9999998E-04
 C   -2.837800      1.2800000E-02 -8.9999998E-04
 C    1.503700      -2.432700      9.9999997E-05
 C   -1.503600      -2.432800       0.000000    
 C   0.6961000       3.641900      3.0000001E-04
 C  -0.6962000       3.641900     -3.0000001E-04
 C    2.805000       2.437800      1.2000001E-03
 C   -2.805000       2.437800     -1.2000001E-03
 C    3.511800       1.238900      1.2000001E-03
 C   -3.511800       1.238900     -1.3000000E-03
 C    3.561800      -1.181800      8.9999998E-04
 C   -3.561800      -1.181900     -1.0000000E-03
 C    2.898000      -2.398800      3.9999999E-04
 C   -2.897900      -2.398800     -3.9999999E-04
 H    1.043600      -3.417300     -3.0000001E-04
 H   -1.043300      -3.417400      5.0000002E-04
 H    1.218700       4.596200      5.0000002E-04
 H   -1.218800       4.596200     -6.0000003E-04
 H    3.356500       3.376300      1.6000000E-03
 H   -3.356600       3.376300     -1.9000000E-03
 H    4.561900       1.465000      2.6000000E-03
 H   -4.562000       1.464900     -2.9000000E-03
 H    3.417400      -3.353900       0.000000    
 H   -3.417300      -3.353900     -1.9999999E-04


%chk=000054984-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054984

0 1
O 5.547217 -2.578667 0.000255
O -5.547210 -2.578734 -0.000144
O 5.836446 -0.329983 0.001260
O -5.836421 -0.330053 -0.001539
N 5.071907 -1.373794 0.000227
N -5.071880 -1.373868 -0.000207
C 0.721481 1.269366 0.000076
C -0.721494 1.269351 -0.000106
C 1.460488 0.028708 0.000127
C -1.460474 0.028678 -0.000143
C 0.735763 -1.216869 0.000044
C -0.735726 -1.216884 -0.000040
C 1.423061 2.521349 0.000186
C -1.423101 2.521320 -0.000231
C 2.917111 0.052491 0.000268
C -2.917097 0.052432 -0.000287
C 1.474127 -2.428765 0.000031
C -1.474067 -2.428793 -0.000007
C 0.694939 3.754335 0.000081
C -0.695006 3.754320 -0.000137
C 2.858231 2.513847 0.000398
C -2.858272 2.513788 -0.000444
C 3.583683 1.335533 0.000439
C -3.583698 1.335458 -0.000476
C 3.591730 -1.217020 0.000194
C -3.591690 -1.217088 -0.000182
C 2.873299 -2.430190 0.000089
C -2.873240 -2.430246 -0.000056
H 0.964944 -3.393939 -0.000037
H -0.964865 -3.393958 0.000071
H 1.254243 4.696255 0.000167
H -1.254329 4.696228 -0.000231
H 3.386566 3.474018 0.000541
H -3.386625 3.473949 -0.000597
H 4.671487 1.355657 0.000600
H -4.671504 1.355558 -0.000650
H 3.436667 -3.365662 0.000028
H -3.436589 -3.365729 0.000032


