%chk=000266304.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266304

0 1
O -1.303920 2.298893 -1.089700
O -8.164315 0.311483 -1.363905
N 0.501695 0.095417 -0.295831
N 1.229625 -0.816606 0.161851
N 4.657120 0.433694 -0.013927
N 3.308513 0.349442 0.170064
C -3.695642 0.087113 0.392216
C -5.161922 0.088497 0.621724
C -3.088459 1.156158 -0.248737
C -2.919642 -1.011598 0.833723
C -1.684738 1.153119 -0.463627
C -6.033655 0.202391 -0.460544
C -0.898423 0.056654 -0.031973
C -5.663395 -0.026132 1.932700
C -1.554072 -1.019964 0.622317
C -7.421524 0.196868 -0.209772
C -7.040227 -0.023306 2.151927
C -7.940657 0.086134 1.085493
C 3.189112 -2.037330 -0.630309
C 2.650080 -0.747496 -0.124040
C 3.067427 -3.203201 0.138912
C 3.820809 -2.078293 -1.882706
C 0.086745 2.551922 -1.424134
C 5.331624 1.519292 0.640567
C 3.590911 -4.406845 -0.341629
C 4.340235 -3.285683 -2.355822
C -9.607050 0.322195 -1.242853
C 4.228278 -4.448705 -1.585850
C 6.738326 1.449276 0.713006
C 4.645781 2.648994 1.125138
C 7.444915 2.520616 1.262034
C 5.374416 3.703669 1.673504
C 6.771303 3.646882 1.743798
H -3.664209 2.016152 -0.593681
H -3.408584 -1.847275 1.330986
H -5.671491 0.289482 -1.483213
H -4.973816 -0.108392 2.769735
H -0.951112 -1.869538 0.958270
H -7.426127 -0.107913 3.168410
H -9.007847 0.084498 1.273747
H 2.557787 -3.165751 1.102727
H 3.894256 -1.174233 -2.487685
H 0.445471 1.803704 -2.137725
H 0.017902 3.547415 -1.878766
H 0.702572 2.562088 -0.518215
H 3.497729 -5.314119 0.253698
H 4.828648 -3.321657 -3.328596
H 5.209933 -0.423059 -0.162321
H 4.633666 -5.388369 -1.958232
H -9.933003 1.184312 -0.654155
H -9.960081 -0.621513 -0.817669
H -9.918206 0.421827 -2.291234
H 7.275425 0.580534 0.343097
H 3.557405 2.693351 1.071063
H 8.532309 2.473771 1.316337
H 4.848208 4.580561 2.050754
H 7.329489 4.475270 2.172149


%chk=000266304-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266304

0 1
O -1.248991 2.465909 -0.361068
O -8.174263 1.587321 -0.830414
N 0.529093 0.100346 -0.247757
N 1.214780 -1.014392 -0.107145
N 4.573340 0.368954 -0.006202
N 3.214897 0.283588 -0.060310
C -3.726179 -0.168182 0.244952
C -5.206548 -0.242862 0.398266
C -3.082151 1.062824 0.005096
C -2.916546 -1.347067 0.339510
C -1.674144 1.161010 -0.148408
C -6.050987 0.681439 -0.263337
C -0.866790 -0.026952 -0.056528
C -5.805051 -1.246309 1.216302
C -1.532098 -1.269990 0.194861
C -7.456090 0.615180 -0.114839
C -7.203829 -1.306113 1.358836
C -8.048175 -0.382744 0.698655
C 3.314372 -2.216592 -0.408671
C 2.622655 -0.905824 -0.219752
C 2.889145 -3.353350 0.331539
C 4.381910 -2.366416 -1.339398
C 0.168623 2.861740 -0.457919
C 5.204875 1.601682 0.267522
C 3.533930 -4.597381 0.169057
C 5.020727 -3.615794 -1.504802
C -9.634385 1.567695 -0.722184
C 4.606022 -4.733307 -0.744872
C 6.621787 1.628480 0.376171
C 4.456467 2.799476 0.418938
C 7.282052 2.846929 0.634955
C 5.132756 4.007926 0.678443
C 6.544399 4.044745 0.787914
H -3.647788 1.998197 -0.036004
H -3.394102 -2.321140 0.486186
H -5.641608 1.448094 -0.928409
H -5.173885 -1.952289 1.765167
H -0.904817 -2.165423 0.241191
H -7.650716 -2.074855 1.999214
H -9.132924 -0.449876 0.821862
H 2.048833 -3.243235 1.023606
H 4.671748 -1.526180 -1.982543
H 0.651302 2.405021 -1.336042
H 0.124495 3.959477 -0.544316
H 0.729058 2.549467 0.439181
H 3.198304 -5.463275 0.750605
H 5.830338 -3.718142 -2.235936
H 5.161053 -0.474519 -0.086114
H 5.103790 -5.700983 -0.871294
H -9.964138 1.728246 0.322969
H -10.054812 0.615748 -1.101540
H -9.979412 2.401294 -1.351281
H 7.199333 0.701991 0.262523
H 3.368079 2.755245 0.332496
H 8.374448 2.859670 0.718729
H 4.553375 4.930690 0.796510
H 7.060039 4.989505 0.988924


