%chk=000213922.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213922

0 1
O 3.940005 2.131838 1.883370
O 0.664625 1.205466 -2.496147
N 2.410440 0.615090 0.017818
N -0.283391 -0.582052 -1.453705
C 2.852072 2.012526 -0.305684
C 3.419903 -0.054981 0.901779
C 2.187734 -0.172394 -1.233804
C 2.995035 2.788454 1.010712
C 3.555093 0.777196 2.188577
C 0.811443 0.241038 -1.759046
C -1.648468 -0.148029 -1.874687
C -0.229093 -1.610526 -0.433990
C -2.273106 0.792151 -0.870357
C -0.365649 -2.969006 -0.797207
C -0.048075 -1.240019 0.909496
C -0.322897 -3.936990 0.219599
C -0.561224 -3.397638 -2.213698
C -3.233089 0.327203 0.038092
C -1.886931 2.140922 -0.850881
C -0.003937 -2.220676 1.900196
C -0.144915 -3.568648 1.554248
C -3.812707 1.211630 0.953319
C -2.468082 3.019697 0.065442
C -3.433431 2.557183 0.967013
H 2.074076 2.482886 -0.952244
H 3.807166 2.046238 -0.871985
H 4.414257 -0.167410 0.419721
H 3.049290 -1.073007 1.150301
H 2.936989 0.020169 -2.034939
H 2.231958 -1.262430 -1.018881
H 3.457831 3.779798 0.863636
H 2.029472 2.888246 1.537045
H 2.612857 0.792527 2.764521
H 4.389106 0.429475 2.822714
H -2.274855 -1.054370 -2.027703
H -1.557780 0.357916 -2.869175
H 0.069438 -0.182466 1.165559
H -0.431118 -4.989512 -0.038446
H -0.088924 -4.367142 -2.421712
H -1.631205 -3.501401 -2.447155
H -0.144169 -2.677361 -2.933044
H -3.525844 -0.720866 0.038096
H -1.122809 2.492255 -1.550995
H 0.133503 -1.934315 2.941181
H -0.116541 -4.334252 2.328244
H -4.559821 0.849717 1.657010
H -2.169135 4.066285 0.077636
H -3.887000 3.243985 1.678463


%chk=000213922-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213922

0 1
O 4.065176 2.180387 1.891319
O 0.743553 1.184732 -2.562926
N 2.529664 0.593745 0.011904
N -0.251975 -0.550554 -1.369313
C 2.890223 2.004991 -0.292219
C 3.561657 -0.034248 0.876581
C 2.226721 -0.206738 -1.203025
C 3.042882 2.788853 1.018717
C 3.706314 0.782089 2.172636
C 0.856564 0.195771 -1.766747
C -1.601184 -0.121933 -1.861128
C -0.208081 -1.609589 -0.380542
C -2.310531 0.817899 -0.892378
C -0.404937 -2.964201 -0.781736
C -0.009030 -1.277036 0.981970
C -0.394841 -3.961754 0.227290
C -0.615331 -3.345452 -2.236006
C -3.258326 0.321962 0.037569
C -2.019550 2.207546 -0.904896
C -0.000480 -2.287388 1.966655
C -0.198708 -3.635323 1.587404
C -3.903472 1.194493 0.943519
C -2.663618 3.080440 -0.000515
C -3.607317 2.576927 0.926495
H 2.099282 2.455397 -0.916672
H 3.848587 2.056427 -0.867347
H 4.554682 -0.088734 0.363908
H 3.243231 -1.064035 1.127911
H 2.973339 -0.042712 -2.014783
H 2.239579 -1.274672 -0.925679
H 3.394098 3.816529 0.829411
H 2.067499 2.818419 1.550952
H 2.747909 0.746685 2.736067
H 4.521628 0.388211 2.802151
H -2.201856 -1.033833 -2.022196
H -1.432074 0.378059 -2.830072
H 0.157308 -0.227095 1.240946
H -0.535976 -5.009644 -0.064576
H -0.239694 -4.363861 -2.435411
H -1.689952 -3.337100 -2.505557
H -0.105159 -2.642741 -2.916935
H -3.489533 -0.750629 0.054383
H -1.285099 2.588926 -1.623432
H 0.151128 -2.023979 3.019059
H -0.196158 -4.427534 2.344418
H -4.635587 0.798805 1.656639
H -2.435489 4.152242 -0.021227
H -4.108969 3.255648 1.625718


