%chk=000227612.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227612

0 1
O 3.018743 -1.673357 1.438349
O -0.518574 -2.623742 -0.637833
O 4.468168 -0.573962 0.124729
O 0.355604 2.110270 0.419965
N 2.392409 1.347780 -0.258639
C 1.536974 -0.784821 -1.276685
C 2.047443 -0.068427 -0.009910
C 0.058533 -0.483758 -1.524985
C -0.848940 -1.469022 -0.807182
C 3.326438 -0.753855 0.477022
C -2.185182 -0.961309 -0.372818
C 1.473267 2.371359 0.003610
C -3.296229 -1.810641 -0.497126
C -2.339082 0.316717 0.180474
C 1.975425 3.758399 -0.264616
C -4.559093 -1.371367 -0.094285
C -3.603277 0.748597 0.591644
C -4.712620 -0.091056 0.449739
H 1.670500 -1.888041 -1.165845
H 2.142223 -0.493932 -2.156850
H 1.258106 -0.122911 0.800548
H -0.169293 -0.546150 -2.610472
H -0.182691 0.565621 -1.241122
H 3.298752 1.527853 -0.689840
H -3.162922 -2.815756 -0.902156
H -1.471207 0.977530 0.305097
H 1.206659 4.497918 0.019015
H 2.877778 3.999510 0.315202
H 2.204333 3.926021 -1.325737
H -5.421518 -2.027503 -0.196675
H -3.719831 1.740677 1.025563
H -5.697338 0.249689 0.767405
H 3.815641 -2.170831 1.774611


%chk=000227612-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227612

0 1
O 3.130253 -1.952001 1.117839
O -0.582782 -2.660404 -0.664484
O 4.517591 -0.223180 0.424005
O 0.277340 2.179784 0.324295
N 2.389212 1.354899 -0.201321
C 1.568974 -0.822543 -1.229989
C 2.080796 -0.064925 0.040271
C 0.091978 -0.502476 -1.554479
C -0.890263 -1.440795 -0.830928
C 3.369727 -0.714877 0.540093
C -2.237983 -0.930730 -0.414901
C 1.492458 2.384683 0.006254
C -3.297915 -1.873070 -0.293383
C -2.478859 0.436862 -0.106764
C 2.053488 3.791186 -0.170649
C -4.583547 -1.454584 0.099022
C -3.767394 0.847288 0.302269
C -4.822115 -0.089643 0.395897
H 1.654495 -1.911984 -1.061866
H 2.225659 -0.549710 -2.076489
H 1.309228 -0.132985 0.829620
H -0.085284 -0.680572 -2.636174
H -0.142698 0.555707 -1.367924
H 3.375894 1.562494 -0.387252
H -3.084839 -2.924925 -0.511922
H -1.663242 1.166909 -0.127194
H 1.947726 4.340420 0.781005
H 3.113057 3.808060 -0.477067
H 1.453180 4.328366 -0.924665
H -5.397810 -2.183436 0.177439
H -3.943924 1.898282 0.556021
H -5.821284 0.237875 0.705465
H 3.988084 -2.372476 1.398153


