%chk=000251426.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251426

0 1
N -0.517585 -0.065560 -0.333686
N 1.834262 1.105840 1.203447
N 0.927085 -1.968036 -0.636924
C -1.758153 -0.863538 -0.433327
C -2.173555 -1.351433 0.977042
C -2.857518 0.040185 -1.040199
C -2.534138 -0.179880 1.898123
C -3.259909 1.184602 -0.100125
C -3.660946 0.665554 1.288010
C 1.873180 0.396735 -0.118870
C 2.136051 1.449429 -1.243562
C 0.676536 -0.538127 -0.371464
C 0.874208 2.035769 -1.876179
C 3.035494 0.846456 -2.332166
C 2.030203 0.149317 2.335514
C 0.613251 1.925164 1.446525
C 2.086696 -2.242646 -1.526908
C 0.998849 -2.770452 0.617000
H -1.623945 -1.758435 -1.098662
H -1.350086 -1.951673 1.421619
H -3.036698 -2.035307 0.877404
H -3.738709 -0.584768 -1.275197
H -2.501795 0.458664 -2.000897
H -1.631332 0.460593 2.048147
H -2.828812 -0.552358 2.894433
H -4.089255 1.763160 -0.544676
H -2.404418 1.883787 0.000084
H -4.586027 0.063751 1.213391
H -3.899036 1.515271 1.953561
H 2.798159 -0.247224 -0.068143
H 2.701901 2.290863 -0.758247
H 0.171929 2.381036 -1.097367
H 0.330146 1.297377 -2.475745
H 1.109060 2.886192 -2.521771
H 2.566870 -0.031450 -2.801957
H 3.225661 1.575444 -3.127994
H 4.007799 0.541111 -1.933632
H 2.971545 -0.402430 2.194189
H 1.211809 -0.572288 2.474012
H 2.135072 0.729497 3.267340
H 0.846820 2.662586 2.228300
H -0.283570 1.345506 1.751334
H 0.330133 2.471866 0.526103
H 2.066634 -1.541770 -2.386147
H 1.977124 -3.262974 -1.930472
H 3.072719 -2.165021 -1.044654
H 0.089194 -2.573489 1.223101
H 1.884417 -2.570547 1.237565
H 0.991978 -3.841250 0.356331


%chk=000251426-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251426

0 1
N -0.420564 -0.170963 0.022828
N 2.120878 1.031105 1.214861
N 1.222412 -1.929849 -0.418070
C -1.626631 -1.024203 -0.087726
C -2.319342 -1.202218 1.296613
C -2.619683 -0.335668 -1.072278
C -2.887755 0.123068 1.855202
C -3.188052 0.990612 -0.519353
C -3.869160 0.776762 0.853199
C 1.947182 0.485570 -0.171440
C 1.914684 1.630138 -1.245646
C 0.802861 -0.577284 -0.234906
C 0.527161 2.181623 -1.654553
C 2.676138 1.199134 -2.526806
C 2.407579 -0.017597 2.213270
C 1.120489 1.998476 1.710295
C 2.388834 -2.297135 -1.233539
C 0.685224 -3.044745 0.377942
H -1.402481 -2.030796 -0.504539
H -1.607701 -1.642134 2.023165
H -3.149080 -1.929300 1.170986
H -3.453830 -1.044263 -1.262132
H -2.108385 -0.164180 -2.038896
H -2.049609 0.820292 2.048426
H -3.392326 -0.064634 2.823522
H -3.906377 1.423786 -1.242968
H -2.356847 1.711240 -0.404297
H -4.756067 0.119879 0.726136
H -4.238540 1.741253 1.253546
H 2.895296 -0.058595 -0.345891
H 2.500013 2.450972 -0.781008
H -0.095421 2.449472 -0.787920
H -0.040665 1.431095 -2.233040
H 0.662485 3.077531 -2.291758
H 2.152747 0.371440 -3.044614
H 2.733691 2.041672 -3.240918
H 3.710579 0.875689 -2.302717
H 3.209474 -0.681312 1.839624
H 1.522782 -0.653200 2.468618
H 2.759890 0.456859 3.148164
H 1.470096 2.388457 2.685126
H 0.107312 1.555423 1.836952
H 1.041401 2.850776 1.016837
H 2.643070 -1.497440 -1.943592
H 2.151076 -3.200781 -1.830369
H 3.286891 -2.528479 -0.618000
H 0.041492 -2.664460 1.185037
H 1.523818 -3.600105 0.849937
H 0.102258 -3.767881 -0.229710


