%chk=000289108.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289108

0 1
O -0.342608 -0.049456 1.242636
O -6.173766 0.049839 -1.217912
N -0.711247 2.254149 1.171467
N 0.386875 2.052550 0.645589
C -1.376944 0.961102 1.618986
C -2.630689 0.683294 0.838039
C -1.531785 0.891187 3.122913
C 0.710328 0.622387 0.615183
C 1.788981 -0.000440 0.099553
C -3.629830 1.672452 0.749247
C -2.812472 -0.556489 0.214139
C 1.939348 -1.469110 0.126039
C 2.882340 0.787305 -0.515543
C -4.802842 1.422100 0.051701
C -3.985089 -0.831615 -0.494029
C -4.969230 0.162590 -0.566572
C 1.438004 -2.227489 1.197639
C 2.616517 1.705446 -1.543348
C 2.590923 -2.122981 -0.936225
C 4.201112 0.604171 -0.065492
C 1.593309 -3.615824 1.208992
C 3.663856 2.433958 -2.114268
C 2.737778 -3.510798 -0.920826
C 5.241063 1.338125 -0.639146
C 2.242265 -4.260344 0.151930
C 4.975067 2.252412 -1.664528
C -6.460337 -1.190935 -1.909063
H -1.973177 -0.069446 3.425264
H -0.566686 0.982842 3.640343
H -2.188090 1.691512 3.493123
H -3.475573 2.643678 1.225312
H -2.024223 -1.313673 0.278466
H -5.589384 2.168642 -0.034330
H -4.112340 -1.795970 -0.973530
H 0.920116 -1.729297 2.020071
H 1.594301 1.857088 -1.888957
H 2.979835 -1.543728 -1.774176
H 4.407569 -0.108869 0.731934
H 1.205345 -4.195984 2.044506
H 3.454323 3.148316 -2.908965
H 3.240460 -4.011014 -1.747009
H 6.261388 1.198930 -0.285858
H 2.361432 -5.341759 0.162129
H 5.787790 2.823233 -2.109266
H -5.729092 -1.360417 -2.704641
H -7.455791 -0.988826 -2.326449
H -6.494031 -2.022044 -1.199062


%chk=000289108-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289108

0 1
O -0.358352 -0.179476 1.334628
O -6.256985 0.244163 -1.326924
N -0.709487 2.181640 1.266711
N 0.447699 1.919425 0.723187
C -1.386131 0.861216 1.679789
C -2.649475 0.657342 0.850652
C -1.607664 0.849985 3.197330
C 0.702187 0.511015 0.700593
C 1.824358 -0.090986 0.151810
C -3.623577 1.691258 0.802680
C -2.883293 -0.541561 0.142833
C 2.045575 -1.559216 0.241446
C 2.837788 0.754047 -0.548753
C -4.809766 1.521188 0.070364
C -4.073601 -0.724647 -0.597447
C -5.040959 0.309718 -0.630800
C 1.545887 -2.343973 1.323542
C 2.465708 1.789251 -1.450945
C 2.782717 -2.226693 -0.782888
C 4.225319 0.523928 -0.320270
C 1.788228 -3.731346 1.381871
C 3.446875 2.571118 -2.095345
C 3.009832 -3.616666 -0.728958
C 5.205062 1.311804 -0.959281
C 2.517967 -4.378174 0.356805
C 4.820652 2.339555 -1.852198
C -6.542460 -0.980870 -2.077769
H -2.017199 -0.126417 3.506735
H -0.658786 1.035301 3.729068
H -2.329327 1.636535 3.474333
H -3.438805 2.637059 1.322855
H -2.128947 -1.333704 0.168791
H -5.566407 2.309733 0.017895
H -4.229937 -1.664162 -1.135642
H 0.972867 -1.861099 2.118621
H 1.406316 1.973832 -1.649610
H 3.164297 -1.649216 -1.631108
H 4.530859 -0.263778 0.377058
H 1.405512 -4.310695 2.229663
H 3.138204 3.360784 -2.789163
H 3.568378 -4.106055 -1.534624
H 6.266100 1.127150 -0.757374
H 2.699238 -5.457822 0.403046
H 5.580934 2.949396 -2.353002
H -5.784958 -1.155605 -2.866487
H -7.526186 -0.811771 -2.539552
H -6.591161 -1.861709 -1.408158


