%chk=000100794.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100794

0 1
 I   0.4007000       3.813100      1.8000000E-03
 O    2.495700       1.331800      4.3000001E-03
 O   -3.001200      -1.868400      1.4000000E-02
 O    1.836600      -2.659900     -2.7999999E-03
 O    3.250200     -0.9747000     -3.0000001E-04
 N    2.083300      -1.431400     -1.0000000E-03
 N   -3.779000      0.2741000     -5.1000002E-03
 C   -1.392100     -0.1362000     -2.6000000E-03
 C   0.9936000     -0.5173000     -6.0000003E-04
 C  -0.3093000      -1.015400     -2.3000001E-03
 C    1.213600      0.8602000      6.9999998E-04
 C   -1.172100       1.241200     -1.4000000E-03
 C   0.1308000       1.739400      3.0000001E-04
 C   -2.750600     -0.6563000     -4.9000001E-03
 H  -0.4985000      -2.086400     -3.8999999E-03
 H   -1.977300       1.965700     -1.0000000E-03
 H    2.464000       2.304100      5.2999998E-03
 H   -3.683900       1.280700     -1.5400000E-02
 H   -4.739800     -5.4600000E-02  2.3000001E-03


%chk=000100794-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100794

0 1
I 0.510980 3.936051 0.005516
O 2.583072 1.381407 -0.000494
O -2.950251 -1.937586 0.013957
O 1.698318 -2.747959 -0.002590
O 3.308871 -1.140325 -0.003718
N 2.078174 -1.511013 -0.002574
N -3.886965 0.176291 -0.009065
C -1.418396 -0.062649 0.001614
C 1.001092 -0.477688 -0.000707
C -0.324090 -0.950295 0.000231
C 1.285503 0.925905 0.000301
C -1.162479 1.332737 0.003129
C 0.158071 1.805153 0.002469
C -2.798566 -0.678987 0.002700
H -0.511941 -2.027702 0.000131
H -1.975238 2.064280 0.006538
H 2.600070 2.381872 0.000647
H -3.818572 1.190480 -0.023166
H -4.812955 -0.250272 -0.007520


