%chk=000239082.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239082

0 1
O 0.198483 0.761810 2.869589
N -1.243295 -0.964149 2.677528
C -0.240040 -0.035510 0.594471
C 0.651717 -1.219701 0.208907
C 0.595666 1.158860 0.118684
C 1.851079 -0.756691 -0.411749
C 1.812808 0.710663 -0.473847
C -1.586568 -0.020797 -0.103308
C -0.383614 -0.010372 2.133371
C 0.429967 -2.574626 0.386241
C 0.303405 2.508948 0.201126
C 2.817628 -1.654373 -0.841242
C 2.726803 1.620304 -0.985196
C -1.788093 -0.740073 -1.289854
C -2.634154 0.757220 0.417303
C 1.414292 -3.481400 -0.051689
C 1.235031 3.427646 -0.319330
C 2.587545 -3.029211 -0.653560
C 2.423915 2.991541 -0.903094
C -3.027048 -0.697215 -1.936022
C -3.870076 0.796580 -0.231942
C -4.071343 0.067163 -1.408240
H -0.479658 -2.945486 0.851159
H -0.615444 2.860322 0.665583
H 3.735031 -1.306888 -1.310378
H 3.657898 1.286917 -1.435900
H -0.976977 -1.328797 -1.720892
H -2.488853 1.339550 1.327348
H 1.251869 -4.549292 0.086473
H 1.019878 4.493576 -0.257564
H 3.339354 -3.745300 -0.983275
H 3.132249 3.718162 -1.298106
H -1.373542 -1.004704 3.676643
H -1.805463 -1.581803 2.121015
H -3.175025 -1.259103 -2.857372
H -4.677617 1.401411 0.178487
H -5.034910 0.099418 -1.913069


%chk=000239082-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000239082

0 1
O 0.502897 0.511677 2.898447
N -1.336748 -0.875914 2.671702
C -0.235882 -0.057017 0.586755
C 0.680924 -1.236168 0.188676
C 0.599854 1.151265 0.114006
C 1.881370 -0.754511 -0.408900
C 1.825797 0.716990 -0.464868
C -1.622605 -0.062413 -0.092864
C -0.325742 -0.081462 2.155767
C 0.474487 -2.613891 0.370127
C 0.292369 2.517915 0.191387
C 2.880520 -1.656800 -0.833398
C 2.754290 1.652273 -0.969794
C -1.864523 -0.807521 -1.275069
C -2.664985 0.765400 0.408302
C 1.476312 -3.520760 -0.058246
C 1.223562 3.459086 -0.312768
C 2.669824 -3.044112 -0.654735
C 2.444533 3.029181 -0.889238
C -3.111688 -0.732312 -1.934976
C -3.911736 0.839340 -0.248688
C -4.141932 0.089827 -1.425502
H -0.440914 -2.990240 0.839651
H -0.646458 2.863184 0.636185
H 3.806946 -1.292919 -1.291309
H 3.700075 1.322592 -1.414035
H -1.072581 -1.443612 -1.683131
H -2.504375 1.351118 1.321184
H 1.328686 -4.597949 0.076620
H 0.999263 4.529922 -0.254146
H 3.436187 -3.757934 -0.977053
H 3.152845 3.771553 -1.273898
H -1.389094 -0.990310 3.683597
H -2.062118 -1.276076 2.078712
H -3.276323 -1.314654 -2.848533
H -4.701378 1.482511 0.155960
H -5.108763 0.147341 -1.937628


