%chk=000096102.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096102

0 1
 O    4.588100      -2.747000     -1.3000000E-03
 O   -5.493700      -2.027000      7.9999998E-04
 O   -6.348100     -1.9999999E-04  5.0000002E-04
 N  -0.2748000       1.469800     -3.0000001E-04
 N   -2.642800       1.733100     -6.0000003E-04
 N   0.8178000      0.6816000     -1.9999999E-04
 N   -5.362900     -0.7784000      1.9999999E-04
 C    3.238100      0.6534000      3.0000001E-04
 C   -1.562000      0.9102000     -3.0000001E-04
 C    3.295700     -0.7404000       0.000000    
 C    4.416300       1.400100      6.0000003E-04
 C    4.531500      -1.387200      9.9999997E-05
 C   -1.664800     -0.4779000      9.9999997E-05
 C   -4.057000     -0.2277000     -3.0000001E-04
 C   -2.933500      -1.047000      9.9999997E-05
 C    5.652000      0.7533000      7.9999998E-04
 C    1.949600       1.328000     -1.9999999E-04
 C    5.709700     -0.6403000      3.0000001E-04
 C   -3.859500       1.143700     -6.0000003E-04
 H    2.390500      -1.342800     -5.0000002E-04
 H    4.387700       2.486700      6.0000003E-04
 H  -0.8035000      -1.137900      3.9999999E-04
 H   -3.011800      -2.131100      6.0000003E-04
 H    6.569400       1.334700      1.0000000E-03
 H    1.967300       2.434000     -1.9999999E-04
 H    6.678700      -1.132000      9.9999997E-05
 H  -0.2017000       2.480400     -6.0000003E-04
 H   -4.683100       1.851300     -8.9999998E-04
 H    5.520600      -3.023600     -1.4000000E-03


%chk=000096102-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096102

0 1
O 4.649239 -2.775928 -0.000209
O -5.661866 -1.997858 -0.000258
O -6.451195 0.150089 -0.000205
N -0.316693 1.425024 0.000019
N -2.611271 1.695333 -0.000024
N 0.845510 0.688503 0.000041
N -5.485119 -0.713520 -0.000067
C 3.279478 0.662948 0.000028
C -1.560347 0.809977 -0.000008
C 3.369046 -0.754176 -0.000068
C 4.470259 1.445037 0.000085
C 4.633593 -1.372081 -0.000099
C -1.718379 -0.608568 -0.000011
C -4.109548 -0.209474 -0.000039
C -3.020663 -1.119633 -0.000032
C 5.729298 0.811388 0.000055
C 1.985856 1.352717 0.000068
C 5.823798 -0.597189 -0.000042
C -3.865000 1.185696 -0.000039
H 2.463189 -1.365648 -0.000118
H 4.405197 2.539214 0.000154
H -0.836922 -1.251623 0.000003
H -3.220096 -2.194326 -0.000039
H 6.644495 1.412593 0.000098
H 2.013867 2.460471 0.000071
H 6.806262 -1.086526 -0.000078
H -0.324910 2.457690 0.000022
H -4.698879 1.892848 -0.000050
H 5.575601 -3.123179 -0.000157


