%chk=000271940.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271940

0 1
O 4.793035 -1.441630 0.656276
O 6.237004 0.059808 -0.774326
O -1.809484 -1.238489 1.647071
N -1.417830 0.547630 0.203233
N -0.069555 0.308406 0.147273
C -4.486396 -0.285294 -0.170443
C -5.848033 0.119299 -0.188471
C -3.671733 0.116179 0.938025
C -3.982775 -1.079191 -1.250568
C -6.366777 0.897090 0.894760
C -4.194663 0.857651 1.972085
C -6.676955 -0.264466 -1.291182
C -5.561652 1.253431 1.948026
C 4.087565 -0.456518 0.015081
C 4.908768 0.397770 -0.798894
C 2.139519 0.828393 -0.636627
C -2.231918 -0.311660 1.003609
C -4.801664 -1.434305 -2.292441
C -6.165854 -1.019308 -2.316110
C 2.720977 -0.238013 0.090523
C 4.328708 1.441524 -1.508549
C 2.940175 1.654731 -1.424974
C 0.687143 1.088163 -0.577878
C 4.034844 -2.361879 1.512042
C 7.155434 0.874927 -1.573844
C 5.111054 -3.289132 2.041208
C 8.498697 0.224189 -1.306903
H -2.942938 -1.409600 -1.226866
H -7.414922 1.196571 0.867652
H -3.576141 1.147658 2.823685
H -7.719148 0.052867 -1.295709
H -5.951765 1.838501 2.780281
H -4.424948 -2.042028 -3.115234
H -6.789359 -1.317070 -3.158168
H 2.074728 -0.871403 0.700829
H 4.925793 2.101154 -2.130353
H 2.505513 2.477462 -1.988343
H 0.342932 1.948792 -1.170544
H -1.853148 1.318249 -0.319234
H 3.285999 -2.881728 0.890227
H 3.542452 -1.775669 2.306757
H 7.104661 1.916327 -1.213638
H 6.850886 0.810698 -2.632126
H 5.879152 -2.730302 2.594255
H 5.631085 -3.802399 1.220077
H 4.690189 -4.048222 2.709397
H 9.305642 0.731480 -1.845489
H 8.738046 0.236531 -0.233718
H 8.493060 -0.833274 -1.608340


%chk=000271940-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271940

0 1
O 4.925925 -1.380915 0.892225
O 6.277000 0.011221 -0.907854
O -1.851339 -1.135512 2.172590
N -1.455879 0.195355 0.275307
N -0.086348 -0.013643 0.277272
C -4.454035 -0.127550 -0.213370
C -5.846591 0.287844 -0.242403
C -3.754036 -0.098600 1.053854
C -3.865022 -0.597637 -1.439391
C -6.497711 0.672826 0.974874
C -4.444653 0.240745 2.227420
C -6.559784 0.280031 -1.487343
C -5.815582 0.629403 2.192105
C 4.162340 -0.533369 0.088239
C 4.899240 0.223961 -0.890055
C 2.074737 0.511482 -0.689310
C -2.287755 -0.429730 1.223656
C -4.591536 -0.605306 -2.632963
C -5.945621 -0.146553 -2.665259
C 2.769167 -0.383231 0.178225
C 4.207376 1.110115 -1.746208
C 2.806074 1.253456 -1.647172
C 0.623233 0.669749 -0.600876
C 4.207296 -2.169973 1.917455
C 7.076795 0.772243 -1.890645
C 5.259367 -2.998871 2.647904
C 8.529604 0.351045 -1.689681
H -2.846082 -0.997438 -1.430005
H -7.547582 0.986898 0.935677
H -3.902388 0.209817 3.177993
H -7.607140 0.605053 -1.493346
H -6.322834 0.903953 3.122801
H -4.125631 -0.980095 -3.550992
H -6.500220 -0.152319 -3.609693
H 2.176551 -0.939807 0.908880
H 4.753891 1.692595 -2.492972
H 2.284044 1.945740 -2.318497
H 0.158692 1.390682 -1.306071
H -1.886695 0.852754 -0.394080
H 3.452953 -2.815023 1.422708
H 3.680875 -1.480220 2.608186
H 6.941056 1.858910 -1.711815
H 6.724271 0.534103 -2.915540
H 6.011079 -2.344103 3.120613
H 5.779250 -3.673708 1.946814
H 4.778948 -3.609142 3.434148
H 9.182697 0.889096 -2.400813
H 8.861802 0.580807 -0.663222
H 8.645605 -0.733239 -1.855968


