%chk=000182498.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182498

0 1
O 0.998483 2.521429 0.161952
O -0.318038 -2.856721 0.625093
O -2.986232 -0.103052 0.554937
O 0.546015 -3.095450 -1.451598
O -3.231326 2.135069 0.313116
N -0.948110 3.610136 -0.034899
N 0.606392 0.215635 -2.836643
C -0.276146 -0.099505 0.529082
C 1.183283 0.151214 0.815486
C -0.468055 -0.959813 -0.768722
C -1.036641 1.185977 0.373298
C 1.752325 1.412629 0.600056
C -0.380999 2.385283 0.171327
C 2.031683 -0.851194 1.307798
C 0.013062 -2.395008 -0.628990
C -2.480460 1.172337 0.408977
C 3.104353 1.705699 0.806917
C 3.386290 -0.593010 1.529774
C 0.141370 -0.320470 -1.925871
C 3.923327 0.675517 1.270939
C -0.025041 -4.256988 0.941920
C -4.442626 -0.252226 0.583259
C 1.460683 -4.444839 1.160708
C -4.988049 -0.210266 -0.828694
H -0.728457 -0.690156 1.377012
H -1.595531 -1.020463 -0.935502
H 1.623319 -1.847074 1.516569
H 3.489745 2.702998 0.605517
H 4.033297 -1.385261 1.903749
H 4.984683 0.862575 1.436467
H -0.383034 4.427723 -0.203079
H -1.972593 3.692003 -0.084915
H -0.624631 -4.382594 1.862734
H -0.418701 -4.887585 0.125198
H -4.537221 -1.243855 1.061710
H -4.866815 0.540034 1.226188
H 1.681610 -5.421052 1.608623
H 2.013826 -4.387010 0.209165
H 1.872317 -3.669857 1.823120
H -6.059514 -0.441933 -0.851579
H -4.859158 0.789753 -1.271283
H -4.477187 -0.924429 -1.485613


%chk=000182498-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182498

0 1
O 1.032482 2.573967 0.045639
O -0.462230 -3.045687 0.311263
O -2.966970 -0.052549 0.665266
O 1.121531 -2.841142 -1.394464
O -3.212604 2.246501 0.282031
N -0.975856 3.635601 -0.135247
N 0.493979 0.360511 -2.959617
C -0.203449 -0.052358 0.512203
C 1.261224 0.230345 0.814357
C -0.389393 -0.942738 -0.812923
C -0.997559 1.235052 0.370130
C 1.825207 1.493660 0.529233
C -0.353739 2.449893 0.097428
C 2.122504 -0.750469 1.363506
C 0.208126 -2.351132 -0.700426
C -2.444417 1.234563 0.427086
C 3.187713 1.784516 0.725335
C 3.491344 -0.486666 1.579369
C 0.110005 -0.244517 -2.006997
C 4.028112 0.779952 1.246809
C -0.068142 -4.479299 0.507149
C -4.453786 -0.158839 0.747175
C 1.146530 -4.606650 1.429510
C -5.066214 -0.362648 -0.641890
H -0.644629 -0.675686 1.309747
H -1.487720 -1.066855 -0.893663
H 1.708742 -1.729473 1.627001
H 3.563791 2.780788 0.475955
H 4.137816 -1.263617 2.000030
H 5.091718 0.988260 1.401818
H -0.424100 4.471480 -0.314263
H -2.007840 3.617248 -0.111612
H -0.971614 -4.931226 0.946129
H 0.136737 -4.919285 -0.484725
H -4.616160 -1.029711 1.402939
H -4.844866 0.756890 1.223135
H 1.352029 -5.676488 1.619064
H 2.042881 -4.165516 0.962182
H 0.960854 -4.118755 2.402527
H -6.159320 -0.504522 -0.550295
H -4.886168 0.518993 -1.279191
H -4.645049 -1.256188 -1.135399


