%chk=000264839.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000264839

0 1
O -2.132907 -1.983044 -1.994670
O -2.207586 2.975074 -0.465344
N 0.203541 -1.748642 0.517045
N -2.618351 -0.813971 -1.344890
N -2.141451 1.830243 -0.792647
C 2.143940 0.736357 -1.486966
C 2.658203 -0.393804 -0.587104
C 2.722023 2.108651 -1.113345
C 2.179956 -1.782355 -1.030975
C 2.410875 2.580089 0.316087
C 0.660316 -1.986712 -0.893344
C 0.910128 2.655593 0.640504
C 0.425150 1.432923 1.430059
C -1.290010 -1.630615 0.601725
C -1.104407 1.299859 1.468649
C 0.692213 -2.826833 1.441668
C -1.798241 -0.464578 -0.219079
C -1.686452 0.845023 0.159891
C 0.592853 -2.365319 2.895955
H 1.036601 0.774983 -1.427963
H 2.386097 0.518483 -2.544420
H 3.762612 -0.378079 -0.550792
H 2.303647 -0.207281 0.454953
H 2.338667 2.859304 -1.833463
H 3.821189 2.094837 -1.250761
H 2.461728 -1.960506 -2.087223
H 2.716508 -2.551098 -0.438925
H 2.861588 3.582496 0.457409
H 2.926742 1.924201 1.043161
H 0.142057 -1.256034 -1.555684
H 0.380178 -2.993559 -1.270533
H 0.328148 2.762921 -0.295076
H 0.698433 3.576138 1.216986
H 0.809370 1.483672 2.465775
H 0.865359 0.502417 0.992406
H -1.549059 -1.445620 1.674784
H -1.814223 -2.569335 0.308095
H -1.559119 2.277469 1.746147
H -1.387379 0.594637 2.276328
H 0.157178 -3.790987 1.305622
H 1.763106 -3.021015 1.195805
H 0.998104 -1.349792 3.012202
H -0.440865 -2.343659 3.256205
H 1.161792 -3.028112 3.556672
H -2.649900 -0.105305 -2.097569
H -2.880555 -2.651613 -1.862757


%chk=000264839-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000264839

0 1
O -2.311091 -1.916334 -2.126455
O -2.355528 2.974918 -0.494472
N 0.245844 -1.760239 0.490040
N -2.681497 -0.789925 -1.262098
N -2.273099 1.708602 -0.789330
C 2.225509 0.699189 -1.461907
C 2.812683 -0.493985 -0.674041
C 2.799839 2.082502 -1.063493
C 2.238675 -1.864960 -1.109426
C 2.418091 2.586236 0.356833
C 0.714200 -2.033261 -0.902074
C 0.881860 2.666513 0.604795
C 0.361240 1.523792 1.511721
C -1.238822 -1.684612 0.563530
C -1.186683 1.351999 1.504899
C 0.787951 -2.735799 1.477530
C -1.840808 -0.517665 -0.197721
C -1.745992 0.842842 0.195096
C 0.574321 -2.324618 2.947315
H 1.125428 0.719064 -1.340312
H 2.413665 0.535397 -2.544001
H 3.914044 -0.509284 -0.810278
H 2.629640 -0.354949 0.408101
H 2.443016 2.832533 -1.799137
H 3.906360 2.056154 -1.154508
H 2.430205 -2.015571 -2.192147
H 2.788969 -2.676329 -0.592323
H 2.877400 3.585299 0.493236
H 2.882137 1.933738 1.124693
H 0.180078 -1.335810 -1.570751
H 0.416555 -3.062396 -1.227858
H 0.354097 2.642018 -0.367783
H 0.611768 3.638945 1.060609
H 0.687730 1.717277 2.554820
H 0.806024 0.560181 1.204191
H -1.516488 -1.551803 1.625256
H -1.719762 -2.627110 0.205125
H -1.667350 2.332707 1.696278
H -1.474784 0.665945 2.325241
H 0.366477 -3.761242 1.307060
H 1.873803 -2.807724 1.295317
H 0.935625 -1.294516 3.113751
H -0.484267 -2.376805 3.260282
H 1.141100 -3.003109 3.610797
H -2.948764 0.072280 -1.788957
H -3.141604 -2.462581 -2.176838


