%chk=000076338.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076338

0 1
 O   -1.198000      -2.388100      3.9999999E-04
 O    1.198000       2.388000     -6.9999998E-04
 N   -3.573000      -1.306000     -3.0000001E-04
 N    3.572900       1.306100      9.9999997E-05
 C   -1.451600     -3.1599998E-02 -3.0000001E-04
 C    1.451600      3.1599998E-02 -6.9999998E-04
 C  -0.8069000       1.207100     -6.0000003E-04
 C   0.8069000      -1.207100     -7.9999998E-04
 C  -0.6682000      -1.284100       0.000000    
 C   0.6683000       1.283900     -8.9999998E-04
 C   -2.850400     -9.0800002E-02 -1.9999999E-04
 C    2.850400      9.0899996E-02 -1.9999999E-04
 C   -1.561000       2.386700     -3.0000001E-04
 C    1.561100      -2.386700     -7.9999998E-04
 C   -3.598000       1.087100      1.9999999E-04
 C    3.598000      -1.087100      1.9999999E-04
 C   -2.954700       2.323200      3.9999999E-04
 C    2.954800      -2.323200     -9.9999997E-05
 C   -5.000400      -1.357000      1.9000000E-03
 C    5.000400       1.357100      2.6000000E-03
 H   -1.085800       3.364000     -3.9999999E-04
 H    1.086000      -3.364000     -7.9999998E-04
 H   -4.683400       1.102600      3.9999999E-04
 H    4.683400      -1.102600      6.9999998E-04
 H   -3.538400       3.239400      6.9999998E-04
 H    3.538500      -3.239400      1.9999999E-04
 H   -3.056300      -2.176200     -3.9999999E-04
 H    3.056300       2.176100       0.000000    
 H   -5.427200     -0.8938000     -0.8940000    
 H   -5.424400     -0.8942000      0.8994000    
 H   -5.324700      -2.403200      2.2000000E-03
 H    5.427300      0.8942000     -0.8934000    
 H    5.424200      0.8941000      0.9000000    
 H    5.324600       2.403400      3.1999999E-03


%chk=000076338-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076338

0 1
O -1.261327 -2.463240 -0.000228
O 1.261348 2.463272 0.000215
N -3.588507 -1.289468 0.000432
N 3.588536 1.289488 0.000678
C -1.470978 -0.056486 0.000326
C 1.470994 0.056519 0.000444
C -0.799372 1.209494 0.000428
C 0.799387 -1.209462 0.000310
C -0.693941 -1.296295 0.000099
C 0.693951 1.296334 0.000512
C -2.925279 -0.086113 0.000378
C 2.925296 0.086138 0.000537
C -1.528784 2.415065 0.000493
C 1.528793 -2.415034 0.000238
C -3.637456 1.161086 0.000458
C 3.637469 -1.161061 0.000499
C -2.945004 2.379155 0.000497
C 2.945011 -2.379129 0.000344
C -5.042892 -1.429752 0.000494
C 5.042918 1.429761 0.001021
H -0.973394 3.356501 0.000555
H 0.973397 -3.356468 0.000103
H -4.731261 1.154797 0.000536
H 4.731273 -1.154775 0.000597
H -3.511595 3.317252 0.000572
H 3.511601 -3.317228 0.000303
H -2.959484 -2.118675 0.001080
H 2.959522 2.118708 0.000923
H -5.505289 -0.969719 -0.896159
H -5.505270 -0.969139 0.896858
H -5.294190 -2.502195 0.000826
H 5.505493 0.969623 -0.895488
H 5.505114 0.969243 0.897529
H 5.294223 2.502201 0.001291


