%chk=000111122.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000111122

0 1
O 3.427923 -1.392818 -1.793482
O 3.239478 -2.957274 0.678617
N 1.669608 3.205076 -0.316656
C 0.742657 2.163945 0.269054
C -0.500333 2.023575 -0.645121
C -1.571228 1.133514 -0.007236
C 1.451783 0.820812 0.354231
C -2.794111 0.985664 -0.926413
C 2.106561 0.286749 -0.765134
C 1.036024 4.559770 -0.284434
C 2.965955 3.256083 0.426629
C 1.412397 0.094039 1.554218
C -3.849532 0.133423 -0.275081
C 2.725671 -0.963154 -0.673902
C 2.038946 -1.150535 1.654431
C 2.702892 -1.680842 0.543225
C -3.767905 -1.266451 -0.344820
C -4.917870 0.729550 0.412218
C -4.745976 -2.057369 0.262701
C -5.894164 -0.066441 1.017666
C -5.811633 -1.460263 0.944302
C 2.954182 -2.652687 -2.344366
C 4.686494 -3.000430 0.536438
H 0.400356 2.465995 1.295279
H -0.920880 3.026813 -0.862848
H -0.191360 1.618347 -1.629083
H -1.887493 1.550321 0.968625
H -1.151200 0.131315 0.216323
H -2.487045 0.542017 -1.895817
H -3.201142 1.984709 -1.181082
H 2.149036 0.845362 -1.703085
H 0.077698 4.530916 -0.831436
H 1.691230 5.264664 -0.821497
H 0.847273 4.959229 0.722327
H 3.501291 2.301252 0.290024
H 2.873804 3.448791 1.504776
H 3.602680 4.039336 -0.014286
H 0.893527 0.498579 2.421715
H 2.018426 -1.718950 2.583167
H -2.939313 -1.736419 -0.870762
H -4.987455 1.813055 0.475861
H -4.677698 -3.142411 0.205402
H -6.721493 0.401536 1.548223
H -6.572418 -2.077881 1.415421
H 1.966871 -2.498900 -2.788064
H 3.706350 -2.867977 -3.110264
H 2.926323 -3.430458 -1.572389
H 4.994785 -2.551784 -0.414884
H 5.147025 -2.487375 1.384679
H 4.890500 -4.075717 0.562089


%chk=000111122-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000111122

0 1
O 3.387401 -1.485027 -1.763273
O 3.207481 -3.009791 0.727348
N 1.772449 3.225592 -0.313553
C 0.808757 2.248863 0.284122
C -0.497084 2.143402 -0.557281
C -1.524546 1.141408 0.012707
C 1.471876 0.873283 0.411116
C -2.838406 1.122090 -0.818144
C 2.139443 0.305185 -0.701718
C 1.186742 4.540523 -0.653078
C 2.972917 3.396180 0.538197
C 1.380221 0.122020 1.607016
C -3.870853 0.155801 -0.256042
C 2.711511 -0.979411 -0.624143
C 1.966252 -1.160647 1.700029
C 2.647505 -1.714871 0.596737
C -3.800568 -1.231882 -0.547562
C -4.902703 0.610227 0.605193
C -4.731626 -2.139402 0.005238
C -5.837134 -0.293005 1.161913
C -5.754558 -1.672766 0.863905
C 2.777679 -2.701697 -2.347008
C 4.682051 -3.057015 0.588457
H 0.510280 2.583071 1.315704
H -0.982550 3.136904 -0.608033
H -0.224829 1.858821 -1.593764
H -1.766332 1.406537 1.062514
H -1.096899 0.122152 0.039567
H -2.587223 0.847617 -1.862374
H -3.257643 2.147332 -0.848841
H 2.231899 0.873744 -1.632899
H 0.440151 4.446419 -1.457812
H 1.991978 5.198688 -1.025219
H 0.703488 5.052430 0.218512
H 3.459131 2.421498 0.705530
H 2.737674 3.842531 1.538000
H 3.695291 4.057158 0.027268
H 0.859379 0.544539 2.474464
H 1.917532 -1.745410 2.624355
H -3.011984 -1.601198 -1.215650
H -4.975558 1.680511 0.837008
H -4.662716 -3.206802 -0.234655
H -6.629584 0.078205 1.822209
H -6.479444 -2.374675 1.291587
H 1.765398 -2.471787 -2.731248
H 3.436989 -2.989732 -3.180211
H 2.718909 -3.513730 -1.599747
H 5.000959 -2.640951 -0.384193
H 5.158742 -2.492267 1.412333
H 4.949650 -4.122364 0.660919


