%chk=000260319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260319

0 1
O -0.525252 -0.524937 1.399815
O -1.301152 -0.568228 -1.894587
O -3.692510 1.012223 0.964673
O 2.817764 -1.688072 2.083072
O 4.914431 1.453429 -0.488164
O -3.950882 0.207369 -1.178172
N 1.590959 -0.758167 0.352849
N 3.870957 -0.098714 0.786990
N -5.131529 2.055383 -0.415206
C -1.587946 -1.223130 -0.652943
C 0.364049 -1.484788 0.802422
C -0.395080 -2.142484 -0.357617
C -1.585916 -0.156008 0.478552
C -2.853617 -0.119209 1.332357
C 1.552527 0.153073 -0.722286
C 2.770511 -0.898144 1.158248
C 2.626519 0.909719 -1.062926
C 3.885176 0.839808 -0.308198
C 2.592031 1.859648 -2.211331
C -4.238135 1.012015 -0.308820
H -2.554706 -1.759929 -0.745070
H 0.640348 -2.167459 1.648471
H -0.724842 -3.160542 -0.082494
H 0.227414 -2.271977 -1.268876
H -1.335243 0.854919 0.084266
H -2.619392 0.127960 2.391509
H -3.458019 -1.039238 1.278627
H -2.140207 -0.175971 -2.257773
H 0.601189 0.201491 -1.284638
H 4.726839 -0.194374 1.353596
H 2.061641 2.785825 -1.945742
H 2.099109 1.427862 -3.092387
H 3.609806 2.154869 -2.520006
H -5.290187 2.695877 0.347486
H -5.576555 2.248803 -1.300297


%chk=000260319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000260319

0 1
O -0.609308 -0.946765 1.522437
O -1.370968 -0.752088 -1.953313
O -3.595510 1.018025 1.002950
O 2.773924 -1.426117 2.307967
O 4.590466 1.916172 -0.400352
O -3.705980 0.558606 -1.308088
N 1.558309 -0.770413 0.386631
N 3.629781 0.242538 0.912057
N -4.672002 2.470544 -0.367020
C -1.537472 -1.443793 -0.676041
C 0.446568 -1.671127 0.782826
C -0.295306 -2.330373 -0.401703
C -1.583136 -0.436894 0.524041
C -2.928702 -0.288569 1.255058
C 1.491318 0.039485 -0.758264
C 2.662785 -0.701147 1.281522
C 2.461190 0.954424 -1.096641
C 3.630709 1.110499 -0.219866
C 2.386018 1.811906 -2.336081
C -3.974659 1.291995 -0.313287
H -2.460724 -2.054119 -0.702714
H 0.879516 -2.372312 1.509740
H -0.605108 -3.339727 -0.087108
H 0.321638 -2.429973 -1.308254
H -1.249074 0.558080 0.161322
H -2.757028 -0.276403 2.341587
H -3.632216 -1.098260 0.989372
H -2.198085 -0.201890 -2.072655
H 0.608029 -0.108021 -1.392463
H 4.437543 0.311941 1.539437
H 2.409346 2.884882 -2.071870
H 1.467542 1.604842 -2.911174
H 3.260590 1.634639 -2.988116
H -4.858178 2.997570 0.483438
H -4.991713 2.810747 -1.269976


