%chk=000052272.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052272

0 1
 O    1.182700       1.463300      7.9999998E-04
 O   -6.236200     -0.2718000      1.3000000E-03
 O   -5.054200      -2.213300      9.9999997E-05
 N  -0.2205000     -0.4129000     -5.0000002E-04
 N    2.071300     -0.6999000     -1.9999999E-04
 C   -1.498400      0.1474000     -3.9999999E-04
 C   -2.622600     -0.6785000     -3.0000001E-04
 C   -3.899900     -0.1177000     -3.0000001E-04
 C    3.466000     -0.4618000      3.0000001E-04
 C   -1.651600       1.533900     -6.0000003E-04
 C   -4.052900       1.268900     -3.0000001E-04
 C   -2.928800       2.094600     -3.9999999E-04
 C    1.033300      0.2456000      1.9999999E-04
 C    4.337300      -1.538800     -1.9999999E-04
 C    3.931300      0.8429000      3.9999999E-04
 C    5.712400      -1.304400     -1.9999999E-04
 C    5.306400       1.077200      1.9999999E-04
 C    6.196800      3.4000000E-03   0.000000    
 C   -5.072300     -0.9780000       0.000000    
 H   -2.496700      -1.759100     -1.9999999E-04
 H  -0.1891000      -1.429500     -6.9999998E-04
 H  -0.8338000       2.240100     -1.0000000E-03
 H   -5.028100       1.747500     -3.0000001E-04
 H    1.795600      -1.678800     -6.9999998E-04
 H   -3.048800       3.174200     -6.0000003E-04
 H    3.970400      -2.561500     -5.0000002E-04
 H    3.310900       1.726400      3.9999999E-04
 H    6.405800      -2.140200     -3.9999999E-04
 H    5.685400       2.095200      3.0000001E-04
 H    7.267500      0.1860000       0.000000    
 H   -7.020500     -0.8611000      1.9000000E-03


%chk=000052272-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052272

0 1
O 1.185842 1.504839 0.000152
O -6.334520 -0.402502 0.000768
O -4.987140 -2.291124 0.000530
N -0.232806 -0.380856 -0.000225
N 2.080633 -0.678577 -0.000208
C -1.511529 0.238609 -0.000223
C -2.641642 -0.615960 -0.000163
C -3.949010 -0.077272 -0.000234
C 3.480866 -0.412716 -0.000111
C -1.705073 1.649106 -0.000319
C -4.146559 1.327044 -0.000310
C -3.016828 2.170289 -0.000360
C 1.028129 0.250289 0.000007
C 4.348338 -1.539917 -0.000268
C 4.032583 0.896460 0.000101
C 5.746142 -1.364263 -0.000206
C 5.435457 1.053363 0.000159
C 6.301560 -0.063454 0.000010
C -5.084320 -1.037988 -0.000246
H -2.534069 -1.708170 -0.000097
H -0.257645 -1.402736 -0.000324
H -0.833597 2.305584 -0.000328
H -5.162183 1.729736 -0.000354
H 1.840472 -1.672271 -0.000466
H -3.151191 3.257286 -0.000443
H 3.928325 -2.554959 -0.000431
H 3.364993 1.759174 0.000221
H 6.399537 -2.243726 -0.000328
H 5.852345 2.066842 0.000324
H 7.387701 0.074889 0.000054
H -7.046111 -1.097718 0.001415


