%chk=000230613.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230613

0 1
O 2.194447 1.599961 -1.639506
N 4.528497 2.036529 0.022033
N -0.652991 -1.908622 0.367267
C 2.726682 0.578730 -0.774468
C 3.353484 1.233874 0.481770
C 1.556128 -0.302626 -0.390503
C 1.785656 -1.630729 0.108025
C 5.799048 1.240969 0.106233
C 4.637091 3.341644 0.754272
C 0.269717 0.163673 -0.504641
C -0.830451 -0.678025 -0.121193
C 0.643809 -2.396265 0.483397
C -2.222195 -0.178939 -0.250623
C 3.077577 -2.225431 0.245410
C 6.853700 1.848241 -0.819387
C 3.581414 4.318051 0.234754
C 0.809482 -3.724992 0.999845
C -3.144716 -0.391701 0.750289
C -4.478443 0.107594 0.623018
C -2.597215 0.528102 -1.437508
C 3.213069 -3.499058 0.739425
C -4.846444 0.816868 -0.549788
C 2.066706 -4.256035 1.123640
C -3.872221 1.010320 -1.581004
C -5.453091 -0.093018 1.652371
C -6.181660 1.316931 -0.673324
C -6.726778 0.396819 1.507637
C -7.095398 1.111476 0.329962
H 3.482820 0.015136 -1.370139
H 3.599845 0.463786 1.240883
H 2.587975 1.892027 0.952136
H 6.193121 1.171142 1.143372
H 5.585969 0.199540 -0.222616
H 4.544075 3.224333 1.855508
H 5.649824 3.765493 0.565818
H 0.079084 1.170197 -0.888739
H 3.955976 -1.656543 -0.056149
H 6.457295 1.978721 -1.835777
H 7.181259 2.837097 -0.477813
H 7.737920 1.205656 -0.883516
H 3.703858 4.499269 -0.840766
H 2.561181 3.941086 0.380854
H 3.655124 5.284006 0.745682
H 2.874888 2.311970 -1.745539
H -0.086373 -4.282705 1.278914
H -2.871524 -0.951067 1.647341
H -1.855993 0.665067 -2.225649
H 4.196446 -3.955135 0.843032
H 2.211327 -5.263606 1.512590
H -4.166242 1.545918 -2.482760
H -5.161690 -0.642167 2.546732
H -6.454580 1.860072 -1.576579
H -7.474596 0.248483 2.284761
H -8.113495 1.487887 0.244419


%chk=000230613-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230613

0 1
O 2.558603 1.300375 -1.707192
N 4.551833 2.026516 -0.138878
N -0.681639 -1.753006 0.710716
C 2.924840 0.257102 -0.759030
C 3.672720 0.967617 0.428926
C 1.690610 -0.486553 -0.275490
C 1.791858 -1.755295 0.404541
C 5.891250 1.502211 -0.546164
C 4.622164 3.260931 0.700488
C 0.428445 0.078512 -0.456615
C -0.751621 -0.572061 0.044755
C 0.555956 -2.343691 0.887601
C -2.109502 0.022894 -0.133720
C 3.019812 -2.462053 0.622631
C 6.559189 2.338971 -1.652473
C 3.344930 4.116538 0.615939
C 0.600038 -3.599001 1.578225
C -3.216262 -0.570725 0.495763
C -4.534054 -0.037476 0.357408
C -2.324684 1.195438 -0.941314
C 3.031808 -3.688164 1.294286
C -4.738351 1.145538 -0.455565
C 1.813443 -4.259136 1.780572
C -3.599591 1.736122 -1.095933
C -5.667853 -0.639717 1.001186
C -6.061517 1.678732 -0.593103
C -6.946245 -0.098795 0.849744
C -7.145220 1.070439 0.045900
H 3.621326 -0.460116 -1.248692
H 4.228797 0.232526 1.048903
H 2.913520 1.447386 1.069546
H 6.566915 1.423396 0.338661
H 5.740701 0.473575 -0.923941
H 4.840942 3.002300 1.763489
H 5.476091 3.860464 0.338331
H 0.379026 1.026416 -0.994798
H 3.961901 -2.048550 0.245953
H 5.913506 2.379419 -2.547161
H 6.760930 3.375390 -1.327467
H 7.526589 1.887464 -1.939272
H 3.157158 4.430843 -0.425693
H 2.452968 3.569942 0.970082
H 3.452788 5.021397 1.241703
H 3.285163 1.993698 -1.541740
H -0.350577 -4.012399 1.929029
H -3.043406 -1.466346 1.101535
H -1.483512 1.668570 -1.456474
H 3.977323 -4.220546 1.446442
H 1.837471 -5.220084 2.306225
H -3.745258 2.626268 -1.719699
H -5.512231 -1.534844 1.615098
H -6.212161 2.573229 -1.209612
H -7.804835 -0.566060 1.344582
H -8.153696 1.484405 -0.064830


