%chk=000248769.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248769

0 1
O -3.488313 -1.154114 -0.168774
O 0.888911 1.444607 -1.108778
O -1.853075 -2.271524 0.857751
N -0.012646 -0.524491 -0.334817
N 2.578558 -1.526119 -0.025155
C -1.356375 0.002992 0.007365
C -1.362501 0.882585 1.287041
C -1.988814 0.882924 -1.092545
C -2.525233 1.873988 1.114155
C -2.988510 1.788658 -0.355298
C 2.371159 -0.463347 -1.057884
C 3.552593 0.530908 -0.947622
C 1.032443 0.269714 -0.810695
C 4.243107 0.232347 0.394487
C -2.203064 -1.260809 0.290001
C 3.440619 -0.918197 1.039599
H -0.400541 1.428852 1.357264
H -1.447752 0.288551 2.209967
H -2.470456 0.282914 -1.880505
H -1.204520 1.496084 -1.588451
H -2.200436 2.898453 1.365362
H -3.356097 1.633641 1.798940
H -4.005974 1.359560 -0.413499
H -3.035645 2.786220 -0.821263
H 2.306126 -0.907619 -2.081391
H 0.224299 -1.445697 0.075664
H 3.194515 1.579742 -0.997878
H 4.246604 0.406981 -1.794424
H 5.298117 -0.049870 0.243773
H 4.251415 1.122877 1.045494
H 4.090786 -1.678697 1.507922
H 2.766577 -0.532046 1.834407
H 3.057138 -2.328282 -0.449135
H -4.028417 -1.967385 0.037821


%chk=000248769-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248769

0 1
O -3.276256 -0.996933 0.921143
O 0.888562 1.803898 -1.084802
O -1.344728 -2.260130 0.793309
N 0.106719 -0.259336 -0.259766
N 2.457115 -1.484607 -0.403936
C -1.282121 0.109894 0.052817
C -1.397357 1.299980 1.074376
C -2.072770 0.656351 -1.189762
C -2.782053 1.952157 0.827591
C -3.198407 1.569704 -0.633713
C 2.413581 -0.131102 -1.042290
C 3.609242 0.703946 -0.451557
C 1.055204 0.574016 -0.790891
C 4.383275 -0.296432 0.453425
C -1.924316 -1.163320 0.611581
C 3.306085 -1.352092 0.819993
H -0.586218 2.000052 0.810339
H -1.247837 0.969076 2.117284
H -2.449460 -0.159385 -1.831270
H -1.347546 1.250045 -1.771977
H -2.723665 3.046608 0.965775
H -3.527170 1.564349 1.541984
H -4.164330 1.037903 -0.621045
H -3.316243 2.463320 -1.272216
H 2.507767 -0.228867 -2.140333
H 0.449591 -1.220472 -0.068315
H 3.215175 1.557209 0.126487
H 4.244853 1.121077 -1.249726
H 5.205648 -0.779309 -0.108114
H 4.819763 0.192657 1.342165
H 3.718451 -2.333102 1.110709
H 2.677833 -0.986269 1.654727
H 2.824117 -2.199709 -1.045266
H -3.627904 -1.856775 1.280174


