%chk=000214598.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214598

0 1
O 5.847649 -1.788501 0.251920
O 3.748335 -2.541536 0.340934
N 1.741707 -0.677541 0.044505
N 2.448656 1.592617 -0.186356
C -2.461114 -0.137828 -0.012072
C 0.326643 -0.423804 0.018145
C -3.931551 0.016528 -0.026058
C -1.869224 -1.212336 0.673618
C -1.644941 0.785534 -0.682065
C -0.484925 -1.359754 0.695197
C -0.255936 0.646821 -0.676791
C 2.763797 0.246486 -0.032989
C -4.745404 -1.022431 -0.505487
C -4.519827 1.203209 0.440237
C 4.134594 -0.177216 0.048344
C -6.134363 -0.872062 -0.518352
C -5.909597 1.345530 0.427198
C 5.144752 0.806577 -0.036564
C -6.718627 0.310088 -0.052049
C 4.814353 2.141933 -0.187203
C 3.444848 2.489259 -0.255480
C 4.487009 -1.576024 0.221368
H -2.498404 -1.930657 1.200262
H -2.098758 1.618102 -1.221156
H -0.038831 -2.191823 1.238636
H 0.362305 1.375164 -1.206297
H 2.013056 -1.672616 0.207158
H -4.291995 -1.941198 -0.873710
H -3.891351 2.008071 0.818271
H -6.762991 -1.678076 -0.893434
H -6.363308 2.265587 0.792130
H 6.192321 0.488756 0.021334
H -7.800626 0.424045 -0.062110
H 5.577839 2.910749 -0.251730
H 3.134554 3.538232 -0.372148
H 6.066653 -2.754185 0.372596


%chk=000214598-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214598

0 1
O 5.811157 -1.894179 0.484655
O 3.572206 -2.468358 0.611404
N 1.764852 -0.519806 0.145927
N 2.588136 1.656904 -0.360778
C -2.500836 -0.104443 0.023282
C 0.363800 -0.304696 0.087750
C -3.986013 0.002088 -0.012832
C -1.855514 -1.338889 0.314994
C -1.668408 1.019039 -0.233286
C -0.455602 -1.440689 0.347811
C -0.263091 0.936858 -0.205553
C 2.827518 0.336151 -0.050258
C -4.791028 -1.097879 -0.423213
C -4.645403 1.206759 0.361531
C 4.188344 -0.168950 0.073077
C -6.198131 -0.998788 -0.456496
C -6.052212 1.308839 0.325399
C 5.260176 0.735712 -0.136842
C -6.838171 0.206028 -0.083032
C 5.000803 2.079990 -0.453922
C 3.644918 2.482223 -0.551850
C 4.452038 -1.572858 0.404209
H -2.457299 -2.223613 0.550247
H -2.127539 1.979625 -0.493471
H 0.013846 -2.403314 0.586596
H 0.361838 1.805225 -0.414566
H 2.066623 -1.486072 0.373365
H -4.309819 -2.027180 -0.749055
H -4.053479 2.059232 0.713526
H -6.794913 -1.857739 -0.784066
H -6.535998 2.245054 0.626476
H 6.282815 0.359993 -0.045682
H -7.930694 0.284146 -0.109793
H 5.807849 2.797480 -0.620911
H 3.389654 3.520529 -0.796453
H 5.894878 -2.858724 0.711614


