%chk=000241339.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241339

0 1
O -6.386317 -0.012441 0.150898
N 4.850491 -1.108038 0.274126
N 5.846562 -0.192928 0.458962
C -0.679765 -0.435494 0.352069
C -2.170069 -0.387963 -0.123981
C 0.138538 0.721954 -0.301224
C 1.574005 0.597179 0.212571
C 2.210171 -0.766743 -0.287025
C -2.743743 1.010244 0.279305
C -0.034857 -1.819330 0.105456
C -0.471531 2.089121 0.052256
C 1.467891 -1.893469 0.440843
C -1.945890 2.159213 -0.360597
C -2.990983 -1.467895 0.634841
C 2.636594 1.698895 -0.085823
C -4.238866 1.126976 -0.061305
C 3.645525 -0.477915 0.063377
C -2.269968 -0.632564 -1.637209
C -4.494030 -1.376403 0.360639
C 3.895809 0.920447 0.107780
C -5.032683 0.027580 0.658990
C 2.156332 -0.969612 -1.810383
C 5.279209 1.056635 0.359135
H -0.676446 -0.262134 1.457036
H 0.117123 0.604370 -1.410897
H 1.520930 0.539715 1.333111
H -2.640173 1.103253 1.390729
H -0.182488 -2.110598 -0.954287
H -0.569045 -2.581456 0.704766
H 0.097868 2.892836 -0.451375
H -0.372192 2.284999 1.136798
H 1.622882 -1.813355 1.532986
H 1.865440 -2.881959 0.149880
H -2.373667 3.132728 -0.056425
H -2.036346 2.122293 -1.462807
H -2.805927 -1.379278 1.722196
H -2.636037 -2.476768 0.350490
H 2.543427 2.556701 0.598059
H 2.552911 2.091983 -1.113912
H -4.618868 2.124894 0.218858
H -4.397075 1.040335 -1.154522
H -1.908425 -1.630357 -1.906657
H -3.306606 -0.555760 -1.986243
H -1.679462 0.096982 -2.202662
H -4.719131 -1.632556 -0.695139
H -5.046392 -2.122247 0.963434
H -5.090373 0.221864 1.752137
H 2.677194 -1.885370 -2.105884
H 1.124359 -1.041556 -2.173432
H 2.631067 -0.134961 -2.340814
H 5.049742 -2.093431 0.309397
H 5.864450 1.952764 0.467369
H -6.819065 0.852821 0.243812


%chk=000241339-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241339

0 1
O -6.507309 0.055343 0.475986
N 4.869159 -1.069464 0.439087
N 5.910819 -0.153821 0.653307
C -0.697176 -0.455392 0.227070
C -2.212265 -0.404505 -0.211336
C 0.142396 0.718597 -0.391906
C 1.582341 0.593925 0.137100
C 2.263956 -0.774263 -0.275701
C -2.770452 1.003403 0.219975
C -0.030698 -1.847982 0.008613
C -0.482841 2.089974 -0.036188
C 1.470033 -1.907776 0.414512
C -1.978221 2.169592 -0.412485
C -3.027608 -1.489105 0.564641
C 2.653423 1.708960 -0.129288
C -4.297095 1.131718 -0.001595
C 3.670109 -0.441481 0.190233
C -2.364015 -0.646336 -1.738919
C -4.560400 -1.364547 0.386895
C 3.920770 0.939887 0.208528
C -5.059909 0.034574 0.767653
C 2.324609 -0.998569 -1.819115
C 5.309453 1.074922 0.493774
H -0.693837 -0.273647 1.329063
H 0.149395 0.622426 -1.497320
H 1.503761 0.543742 1.247461
H -2.600739 1.065895 1.321393
H -0.131128 -2.150600 -1.051176
H -0.575253 -2.609430 0.597516
H 0.081995 2.899561 -0.538326
H -0.376355 2.258331 1.057341
H 1.561538 -1.797949 1.513938
H 1.877823 -2.904566 0.149502
H -2.401814 3.133457 -0.064834
H -2.096303 2.157905 -1.514718
H -2.778279 -1.413517 1.645095
H -2.718736 -2.500884 0.240309
H 2.486827 2.600661 0.500184
H 2.645737 2.046821 -1.186456
H -4.630302 2.134473 0.341916
H -4.554907 1.062958 -1.076656
H -2.040710 -1.668992 -2.004846
H -3.412877 -0.544798 -2.065220
H -1.765032 0.060330 -2.338618
H -4.854354 -1.563189 -0.661053
H -5.078639 -2.117610 1.009252
H -4.896720 0.195472 1.859370
H 2.932028 -1.894913 -2.044721
H 1.326492 -1.151636 -2.262763
H 2.797455 -0.139723 -2.327441
H 5.082958 -2.060045 0.524310
H 5.922933 1.967384 0.605859
H -6.859938 0.958629 0.680497


