%chk=000046388.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046388

0 1
 O   -1.693600      -1.011200     -9.9999997E-05
 N   -1.422000       1.238900      1.9999999E-04
 N   -3.614700      0.2490000     -6.0000003E-04
 C  -0.1911000      0.6284000      1.9999999E-04
 C  -0.3535000     -0.7491000      1.9999999E-04
 C    2.184800      0.2601000     -1.9999999E-04
 C    1.107300       1.157800     -9.9999997E-05
 C   0.6878000      -1.669100      9.9999997E-05
 C    1.976600      -1.124700     -9.9999997E-05
 C   -2.261800      0.2271000      5.0000002E-04
 C    3.580100      0.7929000     -9.9999997E-05
 H    1.266600       2.231500      1.7000000E-03
 H   0.5159000      -2.738200      6.0000003E-04
 H    2.827400      -1.803000      1.9000000E-03
 H    3.949300      0.8769000       1.026800    
 H    4.251900      0.1367000     -0.5639000    
 H    3.628200       1.780600     -0.4712000    
 H   -4.164000     -0.6042000     -3.9999999E-04
 H   -4.136300       1.119300     -5.0000002E-04


%chk=000046388-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046388

0 1
O -1.761488 -1.074969 0.008175
N -1.469824 1.245717 -0.005897
N -3.699101 0.278254 0.005478
C -0.193284 0.610331 -0.004517
C -0.358547 -0.805324 0.003959
C 2.214693 0.268203 -0.014891
C 1.105353 1.154466 -0.016005
C 0.701618 -1.711434 0.000835
C 2.000776 -1.142096 -0.010312
C -2.333304 0.233986 0.002103
C 3.633614 0.816596 0.005446
H 1.250444 2.239555 -0.026671
H 0.546384 -2.793791 0.001352
H 2.871228 -1.808682 -0.016874
H 4.014192 0.902430 1.042259
H 4.329077 0.158154 -0.545333
H 3.684227 1.822403 -0.447563
H -4.242114 -0.579467 0.012168
H -4.155046 1.185368 0.001288


