%chk=000185714.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185714

0 1
O 9.567003 1.377224 -0.597582
N 10.645900 0.027756 0.855783
C -2.985306 0.364431 -0.116387
C -1.749177 -0.530161 0.047855
C -4.283449 -0.433186 0.067713
C -0.451256 0.267736 -0.136493
C -5.519511 0.461511 -0.096502
C 0.784996 -0.626709 0.027674
C -6.817758 -0.335982 0.087463
C 2.082410 0.171927 -0.156690
C -8.053901 0.558609 -0.076825
C 3.318818 -0.722357 0.007280
C -9.351886 -0.238860 0.107225
C 4.614230 0.078663 -0.176973
C -10.589322 0.654897 -0.056848
C 5.852345 -0.814657 -0.013160
C -11.884315 -0.133712 0.125558
C 7.124033 -0.049847 -0.190620
C 8.274858 -0.378768 0.413147
C 9.497263 0.420488 0.161460
H -2.947997 1.195873 0.613680
H -2.975135 0.840813 -1.115723
H -1.759796 -1.006307 1.047250
H -1.787058 -1.361472 -0.682313
H -4.321244 -1.264430 -0.662511
H -4.294086 -0.909502 1.067016
H -0.414170 1.099339 0.593472
H -0.441468 0.744100 -1.135901
H -5.482091 1.292827 0.633659
H -5.509177 0.937943 -1.095776
H 0.746977 -1.457882 -0.702708
H 0.774182 -1.102873 1.027094
H -6.828522 -0.812342 1.086737
H -6.855549 -1.167256 -0.642714
H 2.091459 0.648711 -1.156087
H 2.118879 1.003635 0.573448
H -8.043377 1.034858 -1.076166
H -8.016283 1.389938 0.653290
H 3.307314 -1.198707 1.006784
H 3.280673 -1.553217 -0.723670
H -9.391088 -1.070452 -0.622268
H -9.364005 -0.715682 1.106086
H 4.621756 0.557848 -1.175948
H 4.652717 0.908634 0.556212
H -10.579630 1.130903 -1.056898
H -10.552346 1.486425 0.673878
H 5.826498 -1.638601 -0.761858
H 5.822572 -1.320827 0.974408
H -11.943882 -0.587003 1.121538
H -11.970514 -0.943319 -0.608005
H -12.761361 0.512025 0.006008
H 7.079643 0.812512 -0.870739
H 8.358614 -1.222396 1.093180
H 11.503518 0.540794 0.726426
H 10.670898 -0.733716 1.504641


%chk=000185714-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185714

0 1
O 9.695364 1.232831 -0.977265
N 10.564484 0.557473 1.066888
C -2.979750 0.325028 -0.000528
C -1.736096 -0.592018 0.020123
C -4.315158 -0.451938 0.035014
C -0.401181 0.184687 -0.033611
C -5.558644 0.465289 0.014552
C 0.842516 -0.732318 -0.012076
C -6.894371 -0.311591 0.040366
C 2.176123 0.044069 -0.096793
C -8.137616 0.606173 0.019320
C 3.419653 -0.872960 -0.071504
C -9.473936 -0.169814 0.041199
C 4.748061 -0.095234 -0.202822
C -10.716464 0.749676 0.019264
C 5.993824 -1.024535 -0.161629
C -12.047375 -0.032981 0.041627
C 7.278870 -0.274556 -0.401184
C 8.336213 -0.209445 0.452332
C 9.558343 0.581073 0.104867
H -2.937121 1.020184 0.864144
H -2.950718 0.960512 -0.910544
H -1.758862 -1.220086 0.935448
H -1.785029 -1.294052 -0.838700
H -4.357699 -1.145500 -0.831001
H -4.344624 -1.089063 0.943882
H -0.352173 0.889607 0.822702
H -0.379020 0.809675 -0.951006
H -5.519445 1.155355 0.883496
H -5.525777 1.106171 -0.891561
H 0.782933 -1.449028 -0.857967
H 0.831129 -1.344216 0.914302
H -6.927742 -0.953145 0.945980
H -6.933502 -1.000991 -0.829111
H 2.187176 0.649806 -1.027028
H 2.235059 0.766329 0.744038
H -8.102781 1.249044 -0.885365
H -8.099736 1.294393 0.889856
H 3.425540 -1.458381 0.871704
H 3.346412 -1.612807 -0.896259
H -9.513520 -0.857886 -0.829366
H -9.510987 -0.812588 0.945860
H 4.749148 0.474193 -1.154637
H 4.826820 0.654083 0.609841
H -10.678227 1.391059 -0.885053
H -10.675510 1.437239 0.888848
H 5.871339 -1.795490 -0.952463
H 6.029284 -1.560251 0.806906
H -12.124213 -0.657514 0.951851
H -12.125513 -0.706169 -0.833105
H -12.919156 0.646924 0.023717
H 7.371794 0.283305 -1.346571
H 8.311378 -0.739360 1.415478
H 11.420436 1.079464 0.882972
H 10.472942 0.040472 1.939171


