%chk=000229943.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229943

0 1
O -4.034605 3.167868 -0.025182
N -5.254276 1.206809 -0.039803
N 5.962538 1.672732 -0.113257
C -1.869354 -0.348846 0.010741
C -2.234604 -1.735224 0.019441
C -0.383724 -0.232402 0.020760
C -1.000731 -2.532355 0.045431
C 0.117461 -1.629459 0.051002
C -2.832378 0.642076 -0.008547
C -3.567966 -2.109415 0.007121
C 0.294810 0.923014 0.003837
C -0.808485 -3.902980 0.069707
C 1.408879 -2.126124 0.091514
C -4.191448 0.247312 -0.019908
C -4.555569 -1.111862 -0.012876
C 1.759398 1.056608 -0.015483
C 1.597386 -3.522754 0.116683
C 0.511492 -4.394098 0.104070
C 2.452264 1.410229 1.152119
C 2.477066 0.867861 -1.206738
C 4.566082 1.375458 -0.059720
C 3.836293 1.561269 1.137752
C 3.860500 1.020509 -1.233458
C -5.114508 2.614744 -0.041414
C 6.703970 1.583364 1.175895
C 6.728319 1.037364 -1.222081
C -6.427689 3.348227 -0.064956
H -2.559798 1.702299 -0.014705
H -3.855095 -3.159209 0.012996
H -0.239632 1.881581 0.000237
H 2.269770 -1.458201 0.106940
H -1.650332 -4.589330 0.064030
H -5.600934 -1.407720 -0.022336
H 2.610839 -3.918579 0.147155
H 0.677225 -5.469770 0.122713
H 1.902306 1.561970 2.081190
H 1.944659 0.596324 -2.118906
H -6.197866 0.814274 -0.052730
H 4.346218 1.840980 2.056834
H 4.389148 0.879408 -2.173491
H 6.242765 2.264382 1.913166
H 7.739673 1.929972 1.027486
H 6.731798 0.569817 1.604758
H 7.761852 1.420349 -1.219583
H 6.283202 1.328273 -2.190244
H 6.761827 -0.061665 -1.168085
H -7.018671 3.127584 -0.963455
H -6.243606 4.436760 -0.065092
H -7.047869 3.132672 0.814871


%chk=000229943-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229943

0 1
O -3.716386 3.267406 0.461329
N -5.060516 1.381435 0.057862
N 6.024482 1.746648 -0.023951
C -1.839980 -0.560300 0.003109
C -2.348349 -1.876261 -0.239027
C -0.352574 -0.614627 0.078913
C -1.211541 -2.806552 -0.274408
C 0.001140 -2.054053 -0.074491
C -2.704875 0.547821 0.100274
C -3.735367 -2.084360 -0.382365
C 0.410268 0.520350 0.291383
C -1.185125 -4.209158 -0.416318
C 1.227374 -2.749084 0.042847
C -4.101185 0.328196 -0.034473
C -4.608003 -0.983141 -0.277322
C 1.849269 0.767504 0.205214
C 1.247393 -4.158255 -0.087278
C 0.054442 -4.884521 -0.332600
C 2.411421 1.846536 0.953424
C 2.736599 0.066038 -0.665969
C 4.664829 1.437180 0.044242
C 3.774118 2.169363 0.896182
C 4.098453 0.387809 -0.753021
C -4.856780 2.742817 0.289544
C 6.570875 2.847521 0.780782
C 6.908046 0.993096 -0.923662
C -6.151095 3.560334 0.319314
H -2.347279 1.564352 0.272175
H -4.141238 -3.083902 -0.571905
H -0.167793 1.419215 0.557231
H 2.157452 -2.216933 0.256910
H -2.111497 -4.773538 -0.572935
H -5.690445 -1.133241 -0.384664
H 2.198395 -4.694843 0.006501
H 0.093060 -5.974468 -0.440606
H 1.754500 2.435011 1.606286
H 2.335271 -0.707647 -1.327530
H -6.033653 1.089899 -0.062652
H 4.147298 2.997730 1.504436
H 4.724002 -0.165163 -1.459234
H 6.109225 3.821045 0.517431
H 7.654787 2.927721 0.603777
H 6.414656 2.677861 1.865134
H 7.939789 1.363494 -0.818823
H 6.611433 1.106169 -1.986580
H 6.909211 -0.089004 -0.683173
H -6.698679 3.483573 -0.638513
H -5.892972 4.614387 0.494763
H -6.823855 3.220635 1.128838


