%chk=000054732.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054732

0 1
 O   -5.297200      -1.012100     -6.9999998E-04
 O   -4.868400       1.140700      3.0000001E-04
 N   -4.492600     -5.3199999E-02 -9.9999997E-05
 C  -0.7610000      0.3416000     -9.9999997E-05
 C  -0.3738000      -1.018700       0.000000    
 C   0.2236000       1.357100     -9.9999997E-05
 C   0.9979000      -1.363300       0.000000    
 C    1.595200       1.012300      1.9999999E-04
 C    1.982400     -0.3479000      9.9999997E-05
 C   -2.131200      0.6862000       0.000000    
 C   -1.357300      -2.033100      1.9999999E-04
 C  -0.1633000       2.715900     -1.9999999E-04
 C    1.384900      -2.722100     -9.9999997E-05
 C    2.578700       2.026800      9.9999997E-05
 C    3.352800     -0.6924000       0.000000    
 C   -3.093900     -0.3320000      3.9999999E-04
 C   -2.711700      -1.674400      3.0000001E-04
 C   -2.497900       2.038500      9.9999997E-05
 C  -0.9566000      -3.375800      1.9999999E-04
 C   -1.526300       3.040500       0.000000    
 C   0.3972000      -3.715800     -9.9999997E-05
 C   0.8245000       3.709600     -9.9999997E-05
 C    2.747900      -3.046700     -1.9999999E-04
 C    2.178100       3.369400     -9.9999997E-05
 C    3.719500      -2.044600     -1.9999999E-04
 C    3.933200       1.668100      9.9999997E-05
 C    4.315300      0.3256000      9.9999997E-05
 H   -3.450000      -2.474900      5.0000002E-04
 H   -3.474200       2.489100      3.9999999E-04
 H   -1.695400      -4.174600      3.9999999E-04
 H   -1.843000       4.082200      9.9999997E-05
 H   0.6716000      -4.768700     -9.9999997E-05
 H   0.5501000       4.762600     -1.9999999E-04
 H    3.069200      -4.086300     -3.9999999E-04
 H    2.917700       4.167500     -9.9999997E-05
 H    4.768500      -2.333600     -3.0000001E-04
 H    4.708000       2.432200       0.000000    
 H    5.376300      8.4200002E-02  9.9999997E-05


%chk=000054732-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054732

0 1
O -5.385965 -1.191310 -0.000653
O -5.111096 1.058066 0.000849
N -4.626581 -0.141541 0.000155
C -0.791045 0.372831 0.000063
C -0.384729 -1.011016 0.000046
C 0.228891 1.394833 0.000019
C 1.007971 -1.370154 0.000017
C 1.624245 1.036508 -0.000014
C 2.015791 -0.345810 -0.000014
C -2.192147 0.743996 0.000119
C -1.379157 -2.048964 0.000057
C -0.139528 2.782558 0.000010
C 1.394441 -2.756563 0.000008
C 2.634280 2.061209 -0.000053
C 3.407673 -0.704119 -0.000046
C -3.151534 -0.346530 0.000107
C -2.753212 -1.685863 0.000071
C -2.522917 2.144968 0.000097
C -0.971127 -3.428358 0.000052
C -1.529099 3.119641 0.000035
C 0.374812 -3.770693 0.000029
C 0.886338 3.789214 -0.000033
C 2.791083 -3.088992 -0.000023
C 2.231897 3.440329 -0.000061
C 3.766130 -2.094816 -0.000048
C 4.019230 1.678412 -0.000083
C 4.395425 0.338702 -0.000079
H -3.527490 -2.457828 0.000053
H -3.571802 2.434990 0.000162
H -1.744279 -4.204366 0.000064
H -1.815268 4.177836 0.000022
H 0.679479 -4.823227 0.000024
H 0.585957 4.843138 -0.000041
H 3.080256 -4.146118 -0.000028
H 3.006574 4.215554 -0.000093
H 4.828639 -2.364382 -0.000073
H 4.780938 2.466485 -0.000111
H 5.455722 0.061278 -0.000105


