%chk=000198372.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198372

0 1
O -5.146290 -1.977572 -0.427320
N -1.410403 2.075311 0.240083
N 4.239398 -0.988456 0.164197
C -0.198184 1.295262 0.697623
C -0.522124 -0.158625 0.329198
C 1.105713 1.763495 0.094508
C 0.457468 -1.063412 0.125486
C -1.972352 -0.219299 0.132805
C 2.087748 0.848510 -0.094971
C 1.855732 -0.596782 0.129723
C -2.475541 1.125655 0.116791
C 1.235134 3.221236 -0.182359
C 0.205165 -2.505539 -0.172836
C -2.838722 -1.284679 -0.049670
C 2.912979 -1.449496 0.257633
C 3.456726 1.192557 -0.479951
C -3.826460 1.397236 -0.083734
C 4.473544 0.308859 -0.350074
C -4.202152 -0.984945 -0.245527
C -4.705016 0.320537 -0.267332
C 5.335448 -1.980778 0.113979
H -0.092531 1.365711 1.816718
H -1.615478 2.895173 0.805357
H 2.223126 3.493438 -0.575710
H 1.062936 3.821121 0.720040
H 0.489150 3.530245 -0.934081
H 0.754500 -2.831218 -1.067223
H -0.860079 -2.714418 -0.364041
H 0.509469 -3.142238 0.668721
H -2.474657 -2.309421 -0.046087
H 2.787381 -2.513431 0.472174
H 3.631662 2.200134 -0.853085
H -4.198359 2.417893 -0.108405
H 5.508932 0.554311 -0.591447
H -5.768190 0.484748 -0.427629
H 5.455062 -2.421571 -0.890984
H 5.148514 -2.797626 0.832194
H 6.291112 -1.509157 0.402053
H -4.740861 -2.874470 -0.412418


%chk=000198372-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198372

0 1
O -5.219161 -2.094218 -0.218513
N -1.431846 2.045346 0.079748
N 4.280557 -1.047457 0.000036
C -0.223800 1.345086 0.623581
C -0.522025 -0.125276 0.308271
C 1.120194 1.821751 0.109024
C 0.488103 -1.053851 0.138300
C -1.976631 -0.223943 0.134716
C 2.134398 0.891908 -0.026825
C 1.875519 -0.573378 0.121587
C -2.481981 1.115181 -0.005784
C 1.271149 3.317412 -0.052030
C 0.173289 -2.515443 -0.142050
C -2.879610 -1.314708 0.064810
C 2.949587 -1.454273 0.144816
C 3.531428 1.233517 -0.314917
C -3.854163 1.359364 -0.235699
C 4.539619 0.301552 -0.280010
C -4.254059 -1.058921 -0.154382
C -4.739868 0.261402 -0.308562
C 5.358511 -2.045919 -0.054293
H -0.249081 1.478769 1.740562
H -1.621046 3.004351 0.374623
H 2.289586 3.623303 -0.340634
H 1.021958 3.853871 0.889882
H 0.579488 3.698835 -0.829223
H 1.017264 -3.036182 -0.623733
H -0.686770 -2.595567 -0.830748
H -0.087240 -3.072532 0.779860
H -2.535052 -2.343023 0.219828
H 2.811614 -2.528752 0.284111
H 3.807587 2.268084 -0.531994
H -4.234992 2.379417 -0.354585
H 5.586272 0.559918 -0.461127
H -5.811459 0.409547 -0.472567
H 5.472616 -2.477748 -1.068981
H 5.150272 -2.865079 0.655214
H 6.313979 -1.578764 0.237734
H -4.784705 -2.975282 -0.105648


