%chk=000197712.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197712

0 1
O -2.042246 0.405275 -1.983457
O 0.811523 -0.077137 0.368286
O 0.436950 2.003080 -2.576311
O 0.533096 2.682682 -0.380551
N 2.862617 0.428392 -0.672805
N 2.712284 -0.340248 1.640223
C -1.350275 -0.076997 -0.759466
C 0.174858 0.294053 -0.905022
C -2.001861 0.700453 0.402565
C -1.569179 -1.597642 -0.612793
C -1.785236 0.286688 1.740745
C -2.908682 -2.040484 -0.447630
C -2.813996 1.832066 0.151386
C -0.542139 -2.567023 -0.705516
C 0.398930 1.781168 -1.197834
C -1.726068 -0.285189 -3.242949
C -2.372477 0.995440 2.809733
C -3.213702 -3.414532 -0.378982
C -3.407067 2.536160 1.223505
C -0.844551 -3.946883 -0.630719
C -3.187947 2.122904 2.556575
C -2.179404 -4.377058 -0.469266
C 2.193439 0.017485 0.435806
C 4.227273 0.521086 -0.561498
C 4.073419 -0.248677 1.748219
C 4.868925 0.187499 0.653602
C 4.981924 1.012078 -1.773635
C 4.680063 -0.619545 3.080603
H 0.637244 -0.274298 -1.731262
H -1.148920 -0.579474 1.943705
H -3.706751 -1.293344 -0.378381
H -2.987044 2.142952 -0.881907
H 0.503515 -2.264463 -0.812503
H -1.878433 -1.377576 -3.157019
H -0.696827 -0.064723 -3.581739
H -2.439875 0.129125 -3.972509
H -2.191455 0.667983 3.839712
H -4.253544 -3.735826 -0.251680
H -4.037377 3.408537 1.015621
H -0.034942 -4.682599 -0.694847
H -3.645703 2.671488 3.387946
H -2.412094 -5.446282 -0.410555
H 0.541934 2.979548 -2.739942
H 5.955391 0.260232 0.749456
H 4.377891 0.861546 -2.682120
H 5.188430 2.095654 -1.682179
H 5.951608 0.496865 -1.884254
H 5.059624 0.281313 3.598998
H 3.916485 -1.088987 3.718902
H 5.532469 -1.311565 2.957139


%chk=000197712-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197712

0 1
O -2.041506 0.415517 -1.979768
O 0.814324 -0.069822 0.370502
O 0.415745 2.030526 -2.562345
O 0.563972 2.705345 -0.345350
N 2.867903 0.411337 -0.678097
N 2.716474 -0.345933 1.636697
C -1.348478 -0.062171 -0.754957
C 0.176719 0.309341 -0.899652
C -2.000505 0.718266 0.404758
C -1.565477 -1.582932 -0.605203
C -1.780105 0.311550 1.744540
C -2.902787 -2.026588 -0.425209
C -2.816039 1.846662 0.149776
C -0.539669 -2.552119 -0.713252
C 0.403832 1.798812 -1.182051
C -1.719949 -0.273298 -3.238476
C -2.367246 1.023914 2.811223
C -3.206724 -3.400898 -0.355993
C -3.408778 2.554510 1.219717
C -0.840831 -3.932170 -0.638077
C -3.186096 2.148123 2.554315
C -2.173530 -4.363020 -0.461108
C 2.197923 0.010314 0.433596
C 4.233485 0.488264 -0.571993
C 4.079328 -0.270398 1.740284
C 4.876796 0.152183 0.642387
C 4.980511 0.953104 -1.797232
C 4.671035 -0.652889 3.074214
H 0.637404 -0.253741 -1.730389
H -1.140999 -0.551853 1.950379
H -3.700320 -1.280010 -0.344927
H -2.992076 2.151776 -0.884763
H 0.504535 -2.249336 -0.833204
H -1.862626 -1.366977 -3.151680
H -0.692760 -0.043810 -3.577686
H -2.437578 0.133939 -3.968269
H -2.183466 0.701810 3.842402
H -4.244917 -3.722658 -0.216958
H -4.041866 3.424171 1.008876
H -0.032006 -4.667611 -0.714319
H -3.643705 2.699442 3.383950
H -2.405334 -5.432422 -0.402104
H 0.522591 3.007131 -2.722239
H 5.963368 0.215036 0.734252
H 4.697500 0.343407 -2.673266
H 4.705956 1.997750 -2.032507
H 6.071844 0.898079 -1.654885
H 4.283409 0.016478 3.863143
H 4.361065 -1.677108 3.347362
H 5.771752 -0.597826 3.066982


