%chk=000046386.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046386

0 1
 I    4.110600      0.8543000     -6.0000003E-04
 O   -1.775900     -0.9740000     -6.9999998E-04
 N   -1.432200       1.266200     -1.9999999E-04
 N   -3.655400      0.3470000      3.9999999E-04
 C  -0.2215000      0.6165000      9.9999997E-05
 C  -0.4280000     -0.7551000     -9.9999997E-05
 C    1.093200       1.104000      3.0000001E-04
 C   0.5832000      -1.707900      9.9999997E-05
 C   -2.304000      0.2819000     -1.9999999E-04
 C    2.141300      0.1722000      3.9999999E-04
 C    1.888800      -1.205200      3.0000001E-04
 H    1.277500       2.173700      1.9999999E-04
 H   0.3770000      -2.770900     -9.9999997E-05
 H    2.711000      -1.918300      3.0000001E-04
 H   -4.231700     -0.4881000       0.000000    
 H   -4.148900       1.233600      5.0000002E-04


%chk=000046386-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046386

0 1
I 4.181917 0.898883 0.000022
O -1.828304 -1.032407 0.000050
N -1.467701 1.279366 0.000090
N -3.724083 0.379791 0.000172
C -0.215126 0.605605 0.000073
C -0.421302 -0.806138 0.000044
C 1.098042 1.118186 0.000069
C 0.608587 -1.746152 0.000005
C -2.362935 0.293990 0.000107
C 2.149165 0.173425 0.000024
C 1.931221 -1.229084 -0.000017
H 1.279270 2.195003 0.000097
H 0.422702 -2.823209 -0.000022
H 2.780296 -1.917593 -0.000058
H -4.294337 -0.460485 -0.000043
H -4.152411 1.300718 0.000087


