%chk=000008513.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008513

0 1
 O  -0.6115000      -2.600800      7.9999998E-04
 O   0.6115000       2.600800      3.9999999E-04
 N   -3.172700      -2.099100      1.9999999E-04
 N    3.172700       2.099000      6.0000003E-04
 C   -1.404700     -0.3675000     -3.9999999E-04
 C    1.404700      0.3675000     -5.0000002E-04
 C   -1.064900      0.9870000     -6.0000003E-04
 C    1.064900     -0.9870000     -6.0000003E-04
 C  -0.3523000      -1.403900     -3.0000001E-04
 C   0.3523000       1.404000     -7.9999998E-04
 C   -2.751600     -0.7493000      9.9999997E-05
 C    2.751600      0.7493000      1.9999999E-04
 C   -2.072000       1.959600     -3.0000001E-04
 C    2.072000      -1.959600     -3.9999999E-04
 C   -3.752000      0.2230000      5.0000002E-04
 C    3.752000     -0.2232000      5.0000002E-04
 C   -3.412900       1.574700      3.9999999E-04
 C    3.412900      -1.574700      1.9999999E-04
 H   -1.836300       3.020400     -3.9999999E-04
 H    1.836400      -3.020400     -5.0000002E-04
 H   -4.802900     -5.6600001E-02  1.0000000E-03
 H    4.802900      5.6499999E-02  1.1000000E-03
 H   -4.193600       2.329900      6.9999998E-04
 H    4.193600      -2.330000      5.0000002E-04
 H   -2.499000      -2.851600     -1.0000000E-03
 H   -4.160100      -2.318900       0.000000    
 H    4.160200       2.318800      1.6000000E-03
 H    2.499100       2.851500      1.3000000E-03


%chk=000008513-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008513

0 1
O -0.628331 -2.695348 -0.000236
O 0.628360 2.695296 0.001784
N -3.177413 -2.110829 -0.000567
N 3.177417 2.110790 0.000046
C -1.411238 -0.408281 -0.000071
C 1.411263 0.408233 0.000326
C -1.069015 0.984555 0.000292
C 1.069042 -0.984603 0.000138
C -0.358517 -1.429421 -0.000168
C 0.358544 1.429371 0.000578
C -2.808144 -0.786485 -0.000239
C 2.808167 0.786442 0.000418
C -2.070134 1.974650 0.000549
C 2.070166 -1.974695 0.000215
C -3.804344 0.243682 -0.000033
C 3.804371 -0.243720 0.000605
C -3.435956 1.595022 0.000364
C 3.435987 -1.595061 0.000511
H -1.763841 3.023878 0.000866
H 1.763877 -3.023923 0.000086
H -4.862918 -0.042864 -0.000161
H 4.862944 0.042830 0.000671
H -4.214633 2.365576 0.000540
H 4.214667 -2.365612 0.000579
H -2.410388 -2.804397 -0.000688
H -4.160130 -2.374659 -0.000689
H 4.160130 2.374637 0.000079
H 2.410370 2.804336 -0.001494


