%chk=000259429.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259429

0 1
O 0.655880 1.546016 0.375247
O -6.466772 -0.871869 -0.224347
O -5.041409 -2.350068 -0.901066
N 3.029327 0.423906 -0.453537
N 1.835561 -0.359983 -0.386709
N -0.516948 -0.368421 -0.227132
N -5.329202 -1.259256 -0.433824
C 6.049650 -0.130773 0.933094
C 6.179195 -0.852622 -0.413232
C 5.088603 1.063910 0.899077
C 4.839871 -1.352301 -0.968487
C 3.613491 0.649020 0.918703
C 3.943776 -0.204678 -1.457632
C 0.668834 0.403561 -0.026868
C -1.841363 0.109565 -0.006587
C -2.900522 -0.760882 -0.331702
C -2.118408 1.382193 0.538960
C -4.212616 -0.337961 -0.094530
C -3.437188 1.770805 0.760350
C -4.502320 0.917147 0.448298
H 5.729982 -0.848532 1.713536
H 7.052851 0.221104 1.248531
H 6.661608 -0.181320 -1.151372
H 6.870023 -1.711739 -0.297748
H 5.297239 1.705754 0.019800
H 5.280163 1.709908 1.780501
H 4.317820 -1.959544 -0.206820
H 5.034296 -2.042755 -1.813396
H 3.480662 -0.224542 1.591975
H 2.999305 1.483416 1.344693
H 4.564641 0.641099 -1.838948
H 3.332977 -0.540383 -2.327169
H 1.915710 -1.294451 0.043235
H -0.442987 -1.259357 -0.727351
H -2.722934 -1.751277 -0.760199
H -1.295026 2.068983 0.782184
H -3.644378 2.757037 1.181862
H -5.538898 1.219489 0.620910


%chk=000259429-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259429

0 1
O 0.637811 1.843536 -0.165131
O -6.484064 -1.134050 0.092370
O -4.841795 -2.714734 0.116023
N 3.084769 0.405168 -0.044981
N 1.819969 -0.193650 -0.035173
N -0.510342 -0.222214 -0.042030
N -5.242080 -1.485350 0.082006
C 6.140630 -0.504779 0.833971
C 6.176940 -0.784090 -0.687559
C 5.246444 0.682367 1.279329
C 4.798703 -1.038117 -1.342301
C 3.732795 0.380988 1.291965
C 3.862694 0.202313 -1.291495
C 0.651483 0.587826 -0.082852
C -1.858175 0.205178 -0.033564
C -2.859065 -0.798819 0.016677
C -2.246769 1.576699 -0.072124
C -4.213674 -0.416628 0.028193
C -3.616155 1.916406 -0.058099
C -4.625257 0.932809 -0.008044
H 5.802682 -1.417465 1.368592
H 7.178300 -0.314527 1.173388
H 6.648959 0.079769 -1.201076
H 6.837568 -1.654882 -0.870966
H 5.449681 1.580442 0.664056
H 5.520470 0.953788 2.317382
H 4.300118 -1.910542 -0.869711
H 4.958752 -1.308825 -2.405284
H 3.586919 -0.618269 1.774791
H 3.209193 1.121342 1.927373
H 4.468024 1.111646 -1.475199
H 3.113457 0.156350 -2.100594
H 1.746432 -1.206125 0.159518
H -0.374495 -1.236078 -0.034060
H -2.612442 -1.865384 0.048061
H -1.471735 2.344102 -0.115294
H -3.897215 2.974174 -0.088512
H -5.689035 1.179823 0.002653


