%chk=000256762.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256762

0 1
O 1.278508 -1.642814 0.544521
O -1.278305 -1.643627 -0.541804
N 1.402251 0.747800 0.513248
N -1.402238 0.747011 -0.513677
C 0.462117 -0.414166 0.624876
C -0.462009 -0.415024 -0.623775
C 2.713944 0.176351 0.376363
C -2.713894 0.175648 -0.376137
C 2.594414 -1.247241 0.341816
C -2.594256 -1.247888 -0.339702
C 3.946085 0.778695 0.216515
C -3.946095 0.778105 -0.217171
C 3.674581 -2.084014 0.153363
C -3.674365 -2.084499 -0.150211
C 5.066701 -0.068727 0.022705
C -5.066649 -0.069156 -0.022315
C 4.928736 -1.459957 -0.006456
C -4.928583 -1.460333 0.008699
C 6.402554 0.544089 -0.152043
C -6.402565 0.543787 0.151529
C 7.450046 0.212251 0.721934
C -7.449823 0.211105 -0.722403
C 6.627043 1.459290 -1.192912
C -6.627330 1.459947 1.191491
C 8.709488 0.793529 0.554368
C -8.709323 0.792507 -0.555692
C 7.889705 2.034444 -1.356347
C -7.890049 2.035218 1.354076
C 8.931814 1.703915 -0.483869
C -8.931930 1.703851 0.481644
H -0.105188 -0.496489 1.575085
H 0.105302 -0.498552 -1.573876
H 1.306442 1.443503 1.255695
H -1.306421 1.441804 -1.256969
H 4.065341 1.859000 0.235368
H -4.065444 1.858373 -0.237448
H 3.567167 -3.164639 0.129859
H -3.566866 -3.165083 -0.125271
H 5.808034 -2.085763 -0.163231
H -5.807846 -2.085996 0.166232
H 7.277316 -0.493191 1.533103
H -7.276868 -0.495096 -1.532863
H 5.817714 1.713308 -1.875719
H -5.818170 1.714625 1.874252
H 9.519615 0.536432 1.234936
H -9.519272 0.534758 -1.236224
H 8.062289 2.741349 -2.166320
H -8.062856 2.742871 2.163349
H 9.913984 2.154079 -0.612913
H -9.914144 2.154109 0.610023


%chk=000256762-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256762

0 1
O 1.460591 -2.137075 0.393679
O -1.460480 -2.137771 -0.391380
N 1.354222 0.216137 0.537206
N -1.354317 0.215283 -0.538176
C 0.511889 -0.998426 0.581578
C -0.511887 -0.999279 -0.580858
C 2.704317 -0.159426 0.326401
C -2.704338 -0.160123 -0.326496
C 2.750464 -1.572536 0.217301
C -2.750343 -1.573083 -0.215435
C 3.874857 0.603005 0.223807
C -3.874912 0.602356 -0.224666
C 3.943115 -2.263019 0.003739
C -3.942892 -2.263368 -0.000649
C 5.117796 -0.072953 0.007604
C -5.117743 -0.073401 -0.007234
C 5.130337 -1.489715 -0.103892
C -5.130148 -1.490010 0.106205
C 6.383012 0.708690 -0.109376
C -6.382983 0.708315 0.109006
C 7.615531 0.184981 0.372523
C -7.615581 0.183907 -0.371927
C 6.395765 2.002013 -0.703469
C -6.395671 2.002407 0.701419
C 8.813769 0.921751 0.260097
C -8.813834 0.920759 -0.260185
C 7.592299 2.742410 -0.812494
C -7.592223 2.742877 0.809764
C 8.809672 2.206260 -0.332200
C -8.809676 2.206033 0.330447
H -0.024307 -1.138340 1.540813
H 0.024333 -1.140476 -1.539884
H 1.097468 1.018772 1.109723
H -1.097870 1.016943 -1.112205
H 3.851992 1.691202 0.340225
H -3.852165 1.690394 -0.342580
H 3.959677 -3.352735 -0.080191
H -3.959348 -3.352969 0.084775
H 6.074931 -2.002915 -0.310083
H -6.074652 -2.002996 0.313330
H 7.627894 -0.793762 0.865421
H -7.628008 -0.795483 -0.863538
H 5.467547 2.416289 -1.114013
H -5.467378 2.417269 1.111202
H 9.748610 0.498891 0.645376
H -9.748739 0.497347 -0.644701
H 7.577229 3.732384 -1.282605
H -7.577099 3.733462 1.278584
H 9.739341 2.779698 -0.417610
H -9.739359 2.779528 0.415324


