%chk=000223048.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223048

0 1
O -1.621623 2.812515 1.059555
O 4.392323 -2.239965 -0.123617
O 5.631483 0.387068 0.335880
O -0.404430 -0.514659 -1.676366
N -0.727399 0.373726 0.429772
C -3.097833 -0.370203 -0.034377
C -2.136598 0.631573 0.337519
C -4.476721 -0.017799 -0.049078
C -2.592666 1.904530 0.680780
C -4.888624 1.305228 0.303019
C -2.731000 -1.712312 -0.374819
C -5.450191 -1.004065 -0.412079
C -3.969142 2.254702 0.670629
C 1.536365 0.041222 -0.375450
C 0.064261 -0.054316 -0.656118
C -3.685845 -2.636737 -0.713934
C -5.065854 -2.279841 -0.734606
C 2.292456 -1.135568 -0.330809
C 2.141981 1.292505 -0.196999
C 3.669850 -1.050660 -0.103675
C 4.291188 0.211050 0.047357
C 3.519095 1.381913 0.008195
C 4.899384 -2.624504 1.185384
C 6.555599 -0.251137 -0.590064
H -0.269325 0.867439 1.205271
H -5.951986 1.546396 0.277163
H -1.673674 -1.983341 -0.380586
H -6.500494 -0.716868 -0.426909
H -4.270117 3.262483 0.943462
H -3.403960 -3.655235 -0.978710
H -5.799314 -3.034634 -1.012707
H 1.829477 -2.113455 -0.477564
H 1.541286 2.203170 -0.236770
H 4.010734 2.346179 0.135119
H -2.016728 3.686568 1.294757
H 5.478927 -3.524485 0.952313
H 4.061155 -2.854263 1.848568
H 5.531289 -1.831718 1.599355
H 7.513981 -0.136569 -0.072486
H 6.541599 0.302090 -1.533555
H 6.300793 -1.306024 -0.746116


%chk=000223048-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223048

0 1
O -1.583628 2.952764 0.619819
O 4.599966 -2.199305 -0.529383
O 5.693004 0.255611 0.645688
O -0.324242 -1.098551 -1.331598
N -0.812753 0.433029 0.388771
C -3.202216 -0.336791 -0.028764
C -2.205754 0.680112 0.194007
C -4.584841 0.073924 -0.207155
C -2.608087 2.024409 0.317538
C -4.934221 1.459299 -0.118254
C -2.902991 -1.740393 -0.038182
C -5.591146 -0.922489 -0.436698
C -3.965132 2.422754 0.159993
C 1.521675 -0.135425 -0.085573
C 0.059020 -0.313384 -0.413183
C -3.910225 -2.684635 -0.244936
C -5.265180 -2.278172 -0.459066
C 2.395976 -1.195840 -0.428584
C 2.059867 1.039947 0.504401
C 3.776249 -1.104764 -0.176040
C 4.317450 0.093169 0.381937
C 3.447149 1.149966 0.728188
C 5.257220 -2.865420 0.620272
C 6.582964 0.149837 -0.537594
H -0.370186 1.099166 1.027659
H -5.980589 1.754592 -0.253095
H -1.871352 -2.067502 0.095859
H -6.627781 -0.596377 -0.583853
H -4.237204 3.482501 0.246692
H -3.658905 -3.750841 -0.251002
H -6.040265 -3.032609 -0.632218
H 1.991453 -2.099219 -0.895015
H 1.422861 1.901925 0.736704
H 3.885452 2.059841 1.149952
H -1.945409 3.869562 0.682296
H 5.881935 -3.657809 0.181137
H 4.494213 -3.312609 1.284952
H 5.879673 -2.152161 1.191038
H 7.605105 0.234553 -0.139193
H 6.378425 0.983987 -1.234575
H 6.442154 -0.814652 -1.056238


