%chk=000054733.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054733

0 1
 O   -5.323700      -1.397400     -1.9999999E-04
 O   -4.920800      0.7606000      3.0000001E-04
 N   -4.530700     -0.4288000     -9.9999997E-05
 C   0.1632000       1.047400      9.9999997E-05
 C    1.544000      0.7522000      9.9999997E-05
 C  -0.7874000     -8.9999998E-04  9.9999997E-05
 C    1.982900     -0.5933000      9.9999997E-05
 C  -0.3628000      -1.355900       0.000000    
 C    1.041300      -1.656100       0.000000    
 C  -0.2652000       2.398100       0.000000    
 C    2.487300       1.809700     -9.9999997E-05
 C   -2.170900      0.3263000       0.000000    
 C    3.379300     -0.8603000      9.9999997E-05
 C   -1.377500      -2.344100     -9.9999997E-05
 C   0.6822000       3.427400       0.000000    
 C   -1.632000       2.690800       0.000000    
 C    2.043700       3.136300     -9.9999997E-05
 C   -2.573800       1.666200      9.9999997E-05
 C   -3.128700     -0.6906000       0.000000    
 C    1.563300      -2.972800       0.000000    
 C    3.854300       1.517900     -9.9999997E-05
 C    4.294700      0.1978000     -9.9999997E-05
 C    3.837500      -2.179900       0.000000    
 C   -2.733800      -2.019500     -9.9999997E-05
 C    2.933700      -3.231200      9.9999997E-05
 H   -1.133200      -3.403200     -9.9999997E-05
 H   0.3707000       4.470000     -9.9999997E-05
 H   -1.975200       3.724000     -9.9999997E-05
 H    2.754300       3.960300     -3.0000001E-04
 H   -3.554200       2.105000       0.000000    
 H   0.9081000      -3.839900       0.000000    
 H    4.593800       2.316100     -3.0000001E-04
 H    5.366000      6.0999999E-03 -3.0000001E-04
 H    4.902200      -2.402500       0.000000    
 H   -3.441900      -2.844400     -1.9999999E-04
 H    3.291900      -4.256600      9.9999997E-05


%chk=000054733-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054733

0 1
O -5.378042 -1.616016 -0.000666
O -5.168439 0.642460 -0.000077
N -4.647066 -0.543999 0.000164
C 0.168152 1.095303 -0.000012
C 1.575622 0.784086 -0.000048
C -0.819243 0.037601 0.000036
C 2.015120 -0.586844 -0.000035
C -0.383163 -1.339187 0.000036
C 1.054076 -1.659222 0.000007
C -0.241842 2.469532 -0.000029
C 2.545249 1.845621 -0.000094
C -2.235894 0.377943 0.000081
C 3.428425 -0.881406 -0.000068
C -1.370190 -2.358788 0.000057
C 0.742925 3.510255 -0.000078
C -1.644527 2.771713 -0.000001
C 2.101064 3.207130 -0.000108
C -2.606637 1.775778 0.000054
C -3.174035 -0.713610 0.000113
C 1.534902 -2.994862 0.000020
C 3.951374 1.522152 -0.000126
C 4.378395 0.206529 -0.000113
C 3.859988 -2.236449 -0.000055
C -2.735431 -2.054723 0.000083
C 2.918462 -3.279741 -0.000011
H -1.080032 -3.411366 0.000055
H 0.405081 4.552692 -0.000090
H -1.955289 3.822958 -0.000018
H 2.849874 4.007176 -0.000144
H -3.664840 2.029525 0.000095
H 0.836170 -3.835110 0.000055
H 4.676351 2.344005 -0.000162
H 5.447621 -0.033900 -0.000137
H 4.933635 -2.456486 -0.000079
H -3.489888 -2.844238 0.000096
H 3.254671 -4.321713 0.000000


