%chk=000272596.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272596

0 1
O 4.487122 1.354265 -0.035603
O 4.396770 -2.899863 -0.615861
O -6.231792 -0.441198 0.062519
N 4.553635 -1.711171 0.092809
C 2.163449 1.043647 0.561101
C 1.616656 0.376012 -0.746522
C 1.376964 0.594936 1.814216
C 3.618257 0.466244 0.678239
C 0.112585 0.319370 -0.812929
C -0.579145 -0.198219 0.426749
C 2.281081 -1.018539 -0.813836
C -0.138340 0.686207 1.616174
C 3.561434 -0.889485 -0.035993
C 2.177282 2.564130 0.438819
C -2.085563 -0.256096 0.318212
C -0.545801 0.736482 -1.901055
C -2.035842 0.746546 -2.020808
C -2.767706 0.193415 -0.830470
C -2.818235 -0.796354 1.386543
C -4.165332 0.122404 -0.892059
C -4.210480 -0.878928 1.347888
C -4.862829 -0.408980 0.199436
H 2.003888 0.978652 -1.609001
H 1.676059 1.212235 2.682851
H 1.646155 -0.447525 2.076901
H 3.981826 0.387986 1.722726
H -0.215934 -1.247862 0.603234
H 2.470747 -1.333315 -1.857575
H 1.639821 -1.809377 -0.376331
H -0.657173 0.377579 2.542044
H -0.445256 1.734330 1.432352
H 1.178406 2.954567 0.215838
H 2.532607 3.043771 1.357081
H 2.856546 2.891306 -0.363543
H -0.023385 1.107732 -2.782561
H -2.333231 0.175043 -2.930806
H -2.376804 1.792361 -2.205284
H 5.384770 0.960783 -0.106181
H -2.293195 -1.162908 2.270024
H -4.718185 0.466040 -1.762850
H -4.764443 -1.295455 2.180588
H 5.252719 -3.400251 -0.401028
H -6.674708 -0.826719 0.856249


%chk=000272596-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272596

0 1
O 4.482016 1.386789 -0.379076
O 4.275947 -3.007026 -0.280098
O -6.324579 -0.430573 0.065307
N 4.537056 -1.704392 0.366958
C 2.207684 1.072752 0.516564
C 1.655246 0.356883 -0.780906
C 1.463658 0.531748 1.777348
C 3.681539 0.579676 0.571499
C 0.137764 0.325870 -0.834763
C -0.558985 -0.228647 0.401408
C 2.347847 -1.045162 -0.786882
C -0.074375 0.590579 1.644301
C 3.590884 -0.854318 0.056962
C 2.094319 2.606608 0.420220
C -2.082008 -0.275781 0.290016
C -0.547012 0.838600 -1.890549
C -2.052383 0.884488 -2.002883
C -2.785195 0.254312 -0.826237
C -2.829936 -0.881013 1.332058
C -4.198320 0.187243 -0.866620
C -4.236075 -0.954797 1.297445
C -4.921044 -0.406682 0.185838
H 2.033377 0.926199 -1.651096
H 1.789254 1.113617 2.662266
H 1.759308 -0.521677 1.968362
H 4.125757 0.637863 1.584686
H -0.200408 -1.270208 0.569208
H 2.596763 -1.392307 -1.805414
H 1.717147 -1.839666 -0.344013
H -0.540856 0.186288 2.562661
H -0.422838 1.635961 1.542370
H 1.046959 2.908994 0.241393
H 2.438585 3.091974 1.352621
H 2.714542 2.987050 -0.407544
H 0.016643 1.262268 -2.734502
H -2.369169 0.381587 -2.941665
H -2.381346 1.939702 -2.122194
H 5.377827 0.968160 -0.452105
H -2.299667 -1.312451 2.189852
H -4.752965 0.591367 -1.720416
H -4.788721 -1.432492 2.116869
H 5.036511 -3.556898 0.041822
H -6.735352 -0.868689 0.851225


