%chk=000267497.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267497

0 1
O -4.816656 -0.847665 0.670817
O -2.900101 2.210619 0.833460
O -1.621228 -3.440423 -0.289155
O -5.367974 1.137914 1.437246
O 1.838824 2.072811 0.131178
N -0.150886 -1.702960 -0.156973
N 2.336234 0.944291 0.068419
C -3.367384 1.117259 0.046571
C -2.214667 0.129227 -0.014014
C 0.135881 -0.325424 -0.041928
C 1.095702 -2.534285 -0.196537
C -2.514896 -1.207473 -0.117025
C 1.594736 -0.189807 -0.018911
C 2.196971 -1.505750 -0.104655
C -0.871556 0.598639 0.024902
C -1.482580 -2.234971 -0.192138
C -3.763687 1.586043 -1.368800
C -3.930545 -1.682531 -0.130681
C -4.588959 0.498947 0.774072
C 3.544719 -1.668912 -0.096499
C 3.767736 0.794591 0.082220
C 4.366412 -0.490003 0.001786
C -4.904381 2.593792 -1.363826
C 4.573795 1.965203 0.180020
C 5.787483 -0.570841 0.020886
C 5.944925 1.850183 0.196116
C 6.554678 0.570557 0.115787
H 1.132305 -3.129862 -1.137499
H 1.104280 -3.258733 0.650546
H -0.662215 1.668967 0.137369
H -4.026873 0.708758 -1.992672
H -2.866352 2.042651 -1.841462
H -4.360666 -1.700318 -1.150117
H -4.057117 -2.675662 0.354552
H 4.019281 -2.645554 -0.159506
H -5.801146 2.211727 -0.856055
H -4.619386 3.527683 -0.862501
H -5.200398 2.856548 -2.387317
H -3.665527 2.776163 1.120350
H 4.073794 2.939341 0.241425
H 6.257172 -1.553014 -0.040133
H 6.575392 2.736674 0.271108
H 7.644656 0.504400 0.130772


%chk=000267497-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267497

0 1
O -4.807790 -0.758381 0.718627
O -2.936543 2.435429 0.671045
O -1.648896 -3.428866 -0.350936
O -5.153479 1.278046 1.701113
O 1.832085 2.135295 0.222808
N -0.144611 -1.643861 -0.170094
N 2.384020 0.928382 0.114684
C -3.354544 1.189072 0.045370
C -2.185417 0.207925 -0.000928
C 0.170347 -0.282674 -0.027600
C 1.057184 -2.513098 -0.240539
C -2.492584 -1.148020 -0.134715
C 1.619835 -0.205665 -0.005027
C 2.192097 -1.511445 -0.127202
C -0.836217 0.674425 0.063582
C -1.456850 -2.172784 -0.227181
C -3.854146 1.493244 -1.411518
C -3.925696 -1.607226 -0.150611
C -4.506031 0.579749 0.889003
C 3.565786 -1.696138 -0.128294
C 3.808177 0.780257 0.119183
C 4.400330 -0.529206 -0.002053
C -5.051012 2.461548 -1.464005
C 4.602137 1.948343 0.245138
C 5.829311 -0.606249 0.009479
C 5.997393 1.828994 0.252417
C 6.612920 0.545817 0.134044
H 1.058182 -3.079767 -1.189764
H 1.034069 -3.253680 0.580054
H -0.597919 1.727469 0.199818
H -4.096839 0.547307 -1.932392
H -2.987562 1.937674 -1.936207
H -4.369538 -1.597840 -1.164748
H -4.015419 -2.625540 0.257180
H 4.021146 -2.686411 -0.220439
H -5.952606 2.037761 -0.986240
H -4.804081 3.408648 -0.954707
H -5.302907 2.695060 -2.513791
H -3.635285 2.674720 1.342755
H 4.093082 2.911044 0.334031
H 6.302137 -1.590727 -0.081357
H 6.620522 2.723843 0.349811
H 7.705011 0.466329 0.141400


