%chk=000245950.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245950

0 1
O 2.320560 0.686908 1.162519
O -5.028805 2.891318 0.608060
O -4.323608 -3.361633 -1.145217
N -2.964507 -0.015441 -0.580493
C -3.856247 1.168780 -0.629382
C -3.674598 -1.288236 -0.281089
C -1.640367 0.154852 -0.082948
C -4.303259 1.667758 0.759442
C -3.568388 -2.192281 -1.523166
C -1.040816 1.438335 -0.075121
C -0.867879 -0.968665 0.298184
C 1.025243 0.463156 0.665343
C 0.292511 1.594929 0.290567
C 0.464664 -0.817735 0.672901
C 3.396634 0.165720 0.455313
C 3.312724 -0.402143 -0.820319
C 4.615933 0.292380 1.146403
C 4.493315 -0.857437 -1.416304
C 5.773854 -0.168823 0.525303
C 5.717495 -0.745102 -0.752178
H -4.739019 0.919131 -1.258373
H -3.334851 1.997014 -1.168142
H -4.748686 -1.119529 -0.045553
H -3.261805 -1.818922 0.607291
H -3.442959 1.964416 1.392597
H -4.914674 0.927672 1.301246
H -2.526835 -2.476074 -1.750009
H -4.033456 -1.734661 -2.413390
H -1.613612 2.318679 -0.367588
H -1.304267 -1.966556 0.305321
H 0.765260 2.576769 0.299838
H 1.063864 -1.676436 0.973789
H -5.902016 2.727714 0.199567
H -4.227542 -4.057605 -1.821676
H 2.361840 -0.480197 -1.339719
H 4.632533 0.742553 2.135587
H 4.453092 -1.302164 -2.410483
H 6.731707 -0.081740 1.038117
H 6.628570 -1.102405 -1.224738


%chk=000245950-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245950

0 1
O 2.416474 0.832139 1.066010
O -5.328128 2.982645 0.329724
O -4.201371 -3.415812 -1.304380
N -3.061009 -0.027857 -0.216310
C -3.943570 1.100380 -0.549425
C -3.667510 -1.367222 -0.178479
C -1.696285 0.171436 0.076011
C -4.524292 1.809626 0.701888
C -3.496943 -2.140229 -1.501853
C -1.128457 1.483444 0.130536
C -0.823363 -0.932737 0.336881
C 1.073717 0.570342 0.665143
C 0.237993 1.675409 0.413562
C 0.537650 -0.735173 0.637364
C 3.495825 0.198268 0.406796
C 3.395142 -0.400796 -0.871780
C 4.733978 0.245999 1.089552
C 4.552874 -0.959279 -1.460146
C 5.879595 -0.314581 0.487286
C 5.796646 -0.922904 -0.788807
H -4.779874 0.720692 -1.169604
H -3.414094 1.847774 -1.168543
H -4.749759 -1.271124 0.022767
H -3.250834 -1.968934 0.648996
H -3.712656 2.212751 1.327878
H -5.109204 1.089159 1.312035
H -2.420881 -2.299993 -1.719093
H -3.942543 -1.558247 -2.336877
H -1.748492 2.368029 -0.038646
H -1.201596 -1.958491 0.315302
H 0.660491 2.683943 0.457501
H 1.179717 -1.596087 0.851398
H -6.156348 2.684280 -0.124062
H -4.089524 -3.988687 -2.103079
H 2.437189 -0.419912 -1.400062
H 4.775982 0.721522 2.074131
H 4.478673 -1.419517 -2.452113
H 6.838374 -0.277564 1.016529
H 6.688016 -1.358394 -1.252527


