%chk=000117475.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117475

0 1
 O    3.441100       1.107300     -1.3000000E-03
 O    3.449700      -1.087900     -8.9999998E-04
 N    2.837200      7.3000002E-03 -5.0000002E-04
 N   -3.556900       1.172100     -2.3000001E-03
 N   -3.479700      -1.163500      1.5000000E-03
 C   -1.372400     -8.5000005E-03  3.9999999E-04
 C    1.417400      1.8000000E-03  1.2000001E-03
 C  -0.6794000       1.202000      1.7000000E-03
 C  -0.6704000      -1.213900     -3.9999999E-04
 C   0.7155000       1.207100      2.0999999E-03
 C   0.7245000      -1.208700      9.9999997E-05
 C   -2.826600     -1.5000000E-02 -1.6000000E-03
 H   -1.175500       2.166200      2.3000001E-03
 H   -1.179100      -2.174200     -1.7000000E-03
 H    1.222600       2.168700      2.7999999E-03
 H    1.238300      -2.166700     -1.0000000E-03
 H   -4.571400       1.147000     -2.0000001E-03
 H   -3.137100       2.093300     -4.4999998E-03
 H   -4.485700     -0.9619000      1.2000001E-03


%chk=000117475-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117475

0 1
O 3.508526 1.130451 0.001281
O 3.490368 -1.150716 -0.001263
N 2.892522 -0.005954 -0.000433
N -3.588516 1.195962 -0.003571
N -3.472376 -1.215679 0.004181
C -1.404664 0.033851 0.000588
C 1.410386 0.005160 -0.000022
C -0.669942 1.250251 0.002300
C -0.694452 -1.197127 -0.001190
C 0.737978 1.244836 0.001990
C 0.709771 -1.222310 -0.001501
C -2.908530 -0.022363 0.000691
H -1.169961 2.224415 0.004737
H -1.285972 -2.116746 -0.002148
H 1.318508 2.170773 0.003386
H 1.268920 -2.161309 -0.002880
H -4.606092 1.206095 -0.003467
H -3.112341 2.093560 -0.009005
H -4.512035 -1.190650 0.003424


