%chk=000043052.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043052

0 1
 O   2.9000000E-03  0.2171000      1.2000001E-03
 N   0.6958000       2.344300     -5.0000002E-04
 N  -0.6866000       2.345300      3.9999999E-04
 C    2.357700      0.4844000     -5.0000002E-04
 C   -2.351500      0.4877000      8.9999998E-04
 C    1.046500       1.085200      1.9999999E-04
 C   -1.047100       1.083200      1.1000000E-03
 C    3.757900      -1.484600      5.0000002E-04
 C   -3.762000      -1.483000     -6.9999998E-04
 C    2.489400     -0.9043000      5.0000002E-04
 C   -2.492700     -0.9044000      1.9999999E-04
 C    3.494600       1.292700     -1.5000000E-03
 C   -3.494900       1.294000      8.9999998E-04
 C    4.894700     -0.6760000     -6.0000003E-04
 C   -4.897700     -0.6729000     -6.9999998E-04
 C    4.763000      0.7126000     -1.5000000E-03
 C   -4.764100      0.7155000      9.9999997E-05
 C    3.899200      -2.969300      1.9000000E-03
 C   -3.905100      -2.967500     -1.9000000E-03
 H    1.619600      -1.557400      3.4000000E-03
 H   -1.623900      -1.559300      1.9000000E-03
 H    3.415700       2.377200     -2.0999999E-03
 H   -3.415800       2.378700      1.4000000E-03
 H    5.888800      -1.115100      1.3000000E-03
 H   -5.892400      -1.110700      6.0000003E-04
 H    5.648200       1.342000     -1.7000000E-03
 H   -5.648500       1.346000      5.0000002E-04
 H    3.124900      -3.436300     -0.6163000    
 H    4.866400      -3.279200     -0.4080000    
 H    3.815600      -3.353600       1.023300    
 H   -3.135900      -3.433700     -0.6271000    
 H   -3.814300      -3.354500       1.017900    
 H   -4.875700      -3.275500     -0.4052000    


%chk=000043052-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043052

0 1
O -0.000463 0.089086 -0.000132
N 0.716328 2.254972 0.014238
N -0.715188 2.255975 0.014273
C 2.464384 0.431371 0.002078
C -2.465493 0.433909 0.001895
C 1.109971 0.971047 0.005578
C -1.110942 0.972706 0.005509
C 4.010364 -1.490539 -0.013693
C -4.012790 -1.486993 -0.014875
C 2.694254 -0.969708 -0.009366
C -2.696411 -0.967004 -0.010403
C 3.564419 1.332141 0.005717
C -3.565098 1.335304 0.006308
C 5.098179 -0.578726 -0.013890
C -5.100091 -0.574569 -0.014249
C 4.874980 0.818898 -0.002711
C -4.875910 0.822931 -0.002214
C 4.248710 -2.990866 0.003180
C -4.251816 -2.987246 0.000723
H 1.837821 -1.653397 -0.015123
H -1.840349 -1.651183 -0.016752
H 3.374385 2.409911 0.011475
H -3.374441 2.412985 0.012756
H 6.124380 -0.965669 -0.023334
H -6.126526 -0.960842 -0.023708
H 5.726705 1.507654 -0.004369
H -5.727128 1.512314 -0.003231
H 3.493202 -3.527863 -0.597701
H 5.246247 -3.245642 -0.395401
H 4.192474 -3.389876 1.034505
H -3.501188 -3.523323 -0.607093
H -4.187796 -3.388500 1.030707
H -5.252473 -3.240660 -0.390795


