%chk=000241225.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241225

0 1
O -1.440164 2.354334 0.682526
O 1.349324 -2.388601 1.059388
N 3.434484 -1.313884 0.574518
N -3.516643 1.200360 0.384130
C 1.389295 0.051492 0.859029
C -1.441448 -0.082689 0.825158
C 2.892505 0.062630 0.816159
C 0.649298 1.240770 0.779625
C -0.760514 1.144263 0.776017
C -2.943262 -0.131706 0.760854
C 0.697291 -1.172739 0.954050
C -0.699025 -1.262700 0.931047
C 2.750849 -2.323506 1.426195
C -2.826613 2.310412 1.097875
C 4.920422 -1.371838 0.760297
C -4.997127 1.255283 0.610484
C 1.307767 2.575120 0.684550
C 5.618222 -0.498293 -0.256573
C -5.707954 0.254787 -0.271344
C 5.264217 -0.568224 -1.612698
C 6.646601 0.362739 0.151873
C -5.402203 0.172728 -1.638482
C -6.700240 -0.573427 0.271914
C 5.935882 0.218102 -2.550974
C 7.318381 1.144516 -0.793140
C -6.085846 -0.731625 -2.453695
C -7.384321 -1.474104 -0.550489
C 6.965282 1.074160 -2.143810
C -7.079370 -1.555054 -1.912245
H 3.236969 0.688620 -0.045337
H 3.292355 0.535907 1.741367
H -3.257745 -0.844431 -0.043317
H -3.347180 -0.530778 1.718834
H -1.177660 -2.237373 0.979941
H 3.095116 -3.347778 1.172292
H 2.790099 -2.129033 2.516758
H -3.196708 3.292764 0.737589
H -2.839936 2.239884 2.203812
H 5.244472 -2.427899 0.591657
H 5.235970 -1.104142 1.793702
H -5.346595 2.278221 0.327618
H -5.275853 1.108612 1.678157
H 1.852762 2.680677 -0.265346
H 0.570821 3.395161 0.719566
H 2.019531 2.740270 1.503270
H 4.452786 -1.230611 -1.922695
H 6.927932 0.426699 1.200430
H -4.618249 0.810477 -2.052866
H -6.943505 -0.520494 1.330556
H 5.656912 0.163892 -3.602237
H 8.118283 1.810249 -0.474017
H -5.843894 -0.795630 -3.513505
H -8.155718 -2.114674 -0.126819
H 7.488853 1.683713 -2.877210
H -7.612007 -2.257310 -2.549938


%chk=000241225-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241225

0 1
O -1.604586 2.354449 1.155781
O 1.527757 -2.315575 1.503293
N 3.518531 -1.065692 0.986035
N -3.587235 1.022596 0.843834
C 1.394208 0.152727 1.257889
C -1.446712 -0.113355 1.278943
C 2.911568 0.266801 1.170412
C 0.580889 1.314616 1.187223
C -0.830720 1.165550 1.215725
C -2.963694 -0.260039 1.224162
C 0.777116 -1.121296 1.383755
C -0.624167 -1.252845 1.378364
C 2.933627 -2.057732 1.872793
C -3.004345 2.137852 1.571828
C 4.982886 -1.083201 0.838539
C -5.053717 1.004195 0.715438
C 1.200013 2.693983 1.060016
C 5.456715 -0.472268 -0.481022
C -5.533450 0.182909 -0.482209
C 4.708550 -0.656706 -1.670365
C 6.677155 0.243536 -0.540303
C -4.804110 0.190993 -1.697412
C -6.737047 -0.559214 -0.406919
C 5.177662 -0.139835 -2.897967
C 7.151891 0.757500 -1.769204
C -5.275701 -0.525177 -2.819345
C -7.213807 -1.273645 -1.530448
C 6.403164 0.566112 -2.953094
C -6.484217 -1.257593 -2.741388
H 3.189390 0.899974 0.307658
H 3.316535 0.782616 2.081939
H -3.236136 -1.019512 0.469346
H -3.351120 -0.629709 2.209857
H -1.058491 -2.256248 1.443770
H 3.453344 -3.022554 1.767413
H 2.927874 -1.739644 2.946401
H -3.534441 3.072880 1.333010
H -2.986318 1.978333 2.680043
H 5.304086 -2.143995 0.878971
H 5.502033 -0.561506 1.681628
H -5.386078 2.054722 0.587842
H -5.557232 0.620711 1.638450
H 1.685177 2.826158 0.072735
H 0.431328 3.473812 1.164354
H 1.978576 2.862228 1.828062
H 3.757257 -1.197710 -1.610474
H 7.258494 0.401536 0.377450
H -3.863643 0.752393 -1.738714
H -7.302947 -0.581374 0.533509
H 4.589563 -0.287272 -3.811092
H 8.098078 1.309750 -1.801553
H -4.701967 -0.514058 -3.753195
H -8.146361 -1.845095 -1.459135
H 6.767171 0.966331 -3.906171
H -6.849496 -1.814112 -3.611955


