%chk=000259327.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259327

0 1
O -2.171426 -1.817703 1.618822
O 0.704743 0.118466 -1.123274
O -3.662036 0.339475 -1.877174
O -5.153594 1.256258 -0.489535
N 0.893995 -1.503559 0.460580
N -1.894382 -0.281585 -0.048972
N 3.593507 -0.815022 0.735350
C -0.341259 -2.199427 0.030086
C -0.356073 -3.655650 0.510269
C 0.642642 -4.551319 -0.251210
C -2.969621 0.598872 0.428959
C -2.452190 1.975326 0.891389
C 2.651737 0.262195 0.328191
C 3.210285 1.236490 -0.723226
C -1.552145 -1.440595 0.638705
C -1.466959 2.687180 -0.061676
C 4.250790 2.214626 -0.142647
C 1.352848 -0.377796 -0.205627
C 0.777707 -5.900121 0.466506
C 0.204289 -4.757989 -1.705860
C -0.866022 3.904164 0.657528
C -2.140494 3.118231 -1.367348
C 3.600084 3.204166 0.831634
C 4.948163 2.966486 -1.283515
C -4.051207 0.784168 -0.636470
H -0.412360 -2.166296 -1.095743
H -0.165111 -3.700191 1.602626
H -1.386307 -4.059063 0.404580
H 1.644503 -4.052947 -0.252674
H -3.483392 0.095004 1.311264
H -3.322113 2.635567 1.091890
H -1.956590 1.832827 1.874827
H 2.363976 0.840597 1.253048
H 3.643434 0.674725 -1.572513
H 2.367321 1.806096 -1.176584
H -0.628813 1.983864 -0.313592
H 1.439821 -1.935452 1.209396
H 5.026173 1.631090 0.413245
H -1.335820 0.059787 -0.848707
H 1.481899 -6.557790 -0.054957
H -0.180354 -6.429778 0.519943
H 1.142322 -5.778501 1.492029
H 0.126957 -3.806288 -2.243818
H 0.919853 -5.383197 -2.251062
H -0.771755 -5.251902 -1.770072
H -1.633759 4.642687 0.914117
H -0.357965 3.618633 1.583819
H -0.130109 4.410336 0.023010
H -3.065957 3.676182 -1.189755
H -1.481238 3.763605 -1.959009
H -2.382431 2.254375 -1.999562
H 2.832902 3.811842 0.337277
H 4.339884 3.895282 1.250425
H 3.118242 2.690853 1.670717
H 4.235550 3.545630 -1.882388
H 5.693170 3.671449 -0.898018
H 5.466383 2.282516 -1.963670
H 4.016561 -1.254102 -0.079713
H 4.353018 -0.428828 1.291256
H -4.381477 0.442152 -2.557920


%chk=000259327-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259327

0 1
O -2.451676 -2.005764 1.368421
O 0.489591 0.463196 -1.207959
O -3.828955 0.110459 -2.034542
O -5.252052 1.444894 -0.783258
N 0.763399 -1.271475 0.334477
N -2.037152 -0.210772 -0.067044
N 3.068432 -0.397769 1.308452
C -0.417398 -2.060675 -0.070866
C -0.275536 -3.526531 0.376903
C 0.945836 -4.280571 -0.211798
C -3.245664 0.517195 0.314167
C -2.964074 1.832804 1.102859
C 2.456532 0.501443 0.294897
C 3.409425 0.869731 -0.872929
C -1.731499 -1.433212 0.491857
C -1.921816 2.800256 0.481375
C 4.622412 1.747781 -0.468632
C 1.148850 -0.111380 -0.268777
C 1.021234 -5.701001 0.397451
C 0.900752 -4.352201 -1.757186
C -1.692210 3.986740 1.449304
C -2.324543 3.315215 -0.921725
C 4.189028 3.157312 0.001792
C 5.611874 1.855437 -1.653764
C -4.206366 0.761969 -0.853972
H -0.481880 -1.992046 -1.175030
H -0.244469 -3.556275 1.483757
H -1.204468 -4.056185 0.093104
H 1.871432 -3.737579 0.077117
H -3.793289 -0.162830 1.001543
H -3.929822 2.359041 1.231584
H -2.612478 1.536246 2.109955
H 2.142498 1.436427 0.800076
H 3.774737 -0.074438 -1.331373
H 2.813750 1.384786 -1.649771
H -0.961507 2.254132 0.376520
H 1.391155 -1.564268 1.102841
H 5.149970 1.249203 0.373788
H -1.372314 0.182100 -0.756764
H 1.905230 -6.249902 0.023201
H 0.121506 -6.288701 0.131487
H 1.083243 -5.663487 1.501248
H 0.942152 -3.350450 -2.222965
H 1.754967 -4.935877 -2.147977
H -0.029574 -4.847474 -2.096774
H -2.620145 4.577972 1.572646
H -1.379918 3.636789 2.451658
H -0.909072 4.666361 1.064714
H -3.317023 3.803232 -0.895751
H -1.586354 4.053639 -1.285574
H -2.361943 2.501830 -1.669449
H 3.636849 3.681553 -0.801419
H 5.070648 3.770936 0.263516
H 3.534726 3.122503 0.892440
H 5.126204 2.336197 -2.524559
H 6.495186 2.463012 -1.382760
H 5.969291 0.859100 -1.975272
H 3.874699 -0.923684 0.953791
H 3.276286 0.047940 2.205773
H -4.518897 0.293214 -2.729628


