%chk=000220584.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220584

0 1
O -5.644186 0.768488 -0.806906
O -5.599253 -1.067734 0.333726
N 2.855066 -0.026538 -0.114823
N -5.063242 -0.084175 -0.153106
C 1.397378 -0.114733 -0.446926
C 3.623382 -1.174506 -0.699841
C 3.433743 1.292167 -0.536670
C 0.603018 0.574304 0.683031
C 3.395339 -2.428686 0.162855
C 4.678443 1.588439 0.319432
C -0.871718 0.406650 0.470066
C 4.217139 -3.607746 -0.347884
C 5.270077 2.953263 -0.017155
C -1.591781 1.357234 -0.276194
C -1.540826 -0.708020 1.007604
C -2.960193 1.202743 -0.482131
C -2.908819 -0.873247 0.808493
C -3.614687 0.085185 0.062082
H 1.094381 -1.184660 -0.504173
H 1.139154 0.337322 -1.427710
H 3.360769 -1.378513 -1.758967
H 4.706788 -0.918247 -0.689824
H 3.689934 1.327335 -1.616557
H 2.678474 2.090407 -0.368429
H 0.881051 1.646702 0.745409
H 0.922429 0.149973 1.660554
H 3.659465 -2.202069 1.215897
H 2.319838 -2.692794 0.178163
H 4.406329 1.539175 1.393296
H 5.439080 0.796053 0.173288
H 3.955883 -3.871489 -1.378935
H 5.292071 -3.394200 -0.325008
H 4.051092 -4.499190 0.268555
H 5.575418 3.017942 -1.067611
H 4.556354 3.763776 0.169279
H 6.158165 3.157293 0.592910
H -1.077039 2.221334 -0.696018
H -0.984936 -1.447391 1.585148
H -3.531345 1.937466 -1.060210
H -3.440434 -1.736412 1.223990


%chk=000220584-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220584

0 1
O -5.684897 0.807807 -1.006235
O -5.738468 -1.024703 0.351837
N 2.861570 -0.032678 -0.170110
N -5.116009 -0.046318 -0.219786
C 1.405950 -0.108214 -0.405264
C 3.616195 -1.189045 -0.720161
C 3.456624 1.287248 -0.502930
C 0.588808 0.518638 0.768116
C 3.518808 -2.452165 0.163024
C 4.679998 1.636929 0.372209
C -0.904749 0.395067 0.542492
C 4.279343 -3.649784 -0.446879
C 5.312883 2.988925 -0.022676
C -1.588362 1.302457 -0.313329
C -1.644678 -0.662428 1.137860
C -2.965397 1.167982 -0.570303
C -3.023040 -0.817210 0.896589
C -3.666219 0.104092 0.040553
H 1.115094 -1.170585 -0.498059
H 1.105001 0.387100 -1.361718
H 3.285794 -1.437715 -1.760793
H 4.680981 -0.898527 -0.795014
H 3.744540 1.345681 -1.583625
H 2.685160 2.066403 -0.347159
H 0.874942 1.582650 0.870773
H 0.895512 0.005847 1.696648
H 3.919607 -2.207630 1.164822
H 2.455145 -2.726972 0.309398
H 4.358240 1.653109 1.430643
H 5.439197 0.834637 0.289511
H 3.871002 -3.920253 -1.439125
H 5.352809 -3.415997 -0.578853
H 4.207062 -4.541393 0.201606
H 5.660290 2.976658 -1.073296
H 4.585868 3.816992 0.079860
H 6.182360 3.225200 0.616761
H -1.033963 2.129386 -0.772190
H -1.131341 -1.366303 1.802884
H -3.504805 1.860437 -1.221938
H -3.605053 -1.622423 1.352558


