%chk=000258595.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258595

0 1
O 0.714738 0.132452 0.528000
O 1.016286 -0.705170 -1.589395
N -0.627733 -0.274322 0.515009
N -1.171818 1.769347 -0.696834
C -2.931015 0.240235 0.078127
C 2.918528 -0.095500 -0.206165
C -3.546024 0.110273 1.330873
C -3.662591 0.037272 -1.101197
C -1.481791 0.588480 -0.006340
C -4.906242 -0.204456 1.399748
C -5.021168 -0.278433 -1.021525
C 3.854915 0.007469 -1.247506
C 3.332999 -0.026178 1.131638
C -5.643241 -0.395702 0.226461
C 5.205410 0.191048 -0.944755
C 4.686743 0.156647 1.426201
C 5.620245 0.266240 0.390221
C 1.491826 -0.302080 -0.560904
H -2.961865 0.239429 2.242790
H -3.167757 0.112686 -2.070749
H -5.389469 -0.308009 2.370355
H -5.594140 -0.440425 -1.933593
H 3.520700 -0.064243 -2.285405
H 2.594188 -0.118557 1.932957
H -6.702531 -0.643330 0.284189
H 5.936244 0.271156 -1.748240
H 5.013648 0.210160 2.463696
H 6.675809 0.407635 0.622860
H -1.892555 2.459829 -0.826953
H -0.235338 2.136348 -0.615965


%chk=000258595-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258595

0 1
O 0.667587 0.087785 -0.050398
O 1.400239 -2.111011 -0.493120
N -0.728541 -0.457375 -0.078950
N -1.155502 1.916590 -0.071699
C -3.009032 0.276991 0.000869
C 3.020544 -0.332549 -0.094913
C -3.440472 -0.972114 0.521887
C -3.976016 1.202309 -0.474516
C -1.553260 0.595872 -0.045990
C -4.814184 -1.282184 0.574319
C -5.351863 0.890067 -0.412996
C 4.120199 -1.154626 -0.455868
C 3.254960 0.980961 0.389719
C -5.775964 -0.351024 0.113907
C 5.437549 -0.665107 -0.344183
C 4.575144 1.465830 0.503829
C 5.668308 0.646632 0.134544
C 1.650201 -0.919009 -0.234942
H -2.686926 -1.682042 0.875776
H -3.663058 2.148556 -0.931747
H -5.136687 -2.247919 0.978247
H -6.089294 1.608802 -0.786871
H 3.917718 -2.168217 -0.817276
H 2.408057 1.605360 0.687713
H -6.843514 -0.592610 0.160543
H 6.282222 -1.302390 -0.627201
H 4.753841 2.477848 0.883448
H 6.692400 1.026208 0.223391
H -1.815862 2.667170 0.105745
H -0.161792 2.121498 -0.145668


