%chk=000228943.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228943

0 1
O -1.151977 -1.278640 1.485127
O -6.313074 1.177390 1.305784
O -3.996669 -4.257161 -1.365823
N -3.544133 -0.844218 -0.115807
N 2.570583 1.393885 -0.368062
C -2.180567 -0.410570 -0.550521
C -1.372134 -0.072842 0.726808
C 0.000642 0.452351 0.363544
C -4.500190 0.302620 -0.044525
C -4.073785 -1.956073 -0.963677
C 0.168571 1.830677 -0.005883
C 1.088774 -0.384658 0.371109
C 1.478455 2.254289 -0.374291
C 2.382377 0.125444 0.004140
C -5.451446 0.045215 1.139980
C -3.493127 -3.277807 -0.433662
C -0.886982 2.793586 -0.021689
C 1.707963 3.615544 -0.766444
C 3.561816 -0.775324 0.021019
C -0.644367 4.091537 -0.397071
C 0.666553 4.506237 -0.777089
C 4.487260 -0.746334 -1.034055
C 3.755062 -1.655833 1.097996
C 5.589764 -1.605022 -1.017089
C 4.861537 -2.508100 1.109510
C 5.777217 -2.486805 0.051762
H -2.182412 0.451266 -1.249730
H -1.660534 -1.236415 -1.087454
H -1.919914 0.637506 1.390012
H -5.075426 0.461289 -0.980223
H -3.958964 1.257303 0.139128
H -3.839467 -1.854236 -2.046156
H -5.183484 -2.000919 -0.899667
H 0.979773 -1.434331 0.657752
H -6.050328 -0.871655 1.013392
H -4.907003 -0.000148 2.102880
H -2.389041 -3.293302 -0.445210
H -3.861752 -3.518305 0.578363
H -1.887872 2.487488 0.279658
H -2.024505 -1.696767 1.676283
H 2.722956 3.905650 -1.044715
H -1.446829 4.828130 -0.406658
H 0.822504 5.544158 -1.070681
H 4.346734 -0.045356 -1.858321
H 3.049742 -1.668026 1.928751
H -6.962084 1.230490 0.578126
H -3.637741 -5.138917 -1.153039
H 6.305779 -1.582451 -1.836948
H 5.012218 -3.188574 1.945865
H 6.637326 -3.153863 0.063302


%chk=000228943-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228943

0 1
O -1.415942 -0.910596 1.580754
O -6.576723 0.423517 1.952829
O -3.669268 -4.156037 -1.628262
N -3.559998 -0.775257 -0.035427
N 2.601388 1.322799 -0.545966
C -2.347037 -0.046527 -0.495313
C -1.454544 0.288233 0.749734
C -0.049138 0.690215 0.336186
C -4.670760 0.118264 0.386160
C -3.978211 -1.887864 -0.932612
C 0.226283 1.999006 -0.207160
C 0.995909 -0.226762 0.440013
C 1.585599 2.257245 -0.644257
C 2.321211 0.110506 -0.005593
C -5.496570 -0.484212 1.542758
C -3.162446 -3.161987 -0.671104
C -0.745629 3.045019 -0.334124
C 1.912441 3.536054 -1.202148
C 3.450705 -0.862057 0.092441
C -0.396826 4.285733 -0.875985
C 0.940950 4.532176 -1.318471
C 4.682924 -0.567694 -0.554913
C 3.341137 -2.080481 0.817795
C 5.766338 -1.465558 -0.487808
C 4.428072 -2.978303 0.887289
C 5.644802 -2.678283 0.232683
H -2.591108 0.872570 -1.068354
H -1.767780 -0.713719 -1.157405
H -1.928454 1.117672 1.320505
H -5.344016 0.361080 -0.471616
H -4.246035 1.074931 0.740074
H -3.885930 -1.614137 -2.006205
H -5.041894 -2.119869 -0.748001
H 0.770253 -1.203931 0.870024
H -5.895515 -1.483725 1.268361
H -4.864546 -0.595562 2.438206
H -2.079285 -2.971541 -0.824357
H -3.315453 -3.492088 0.378160
H -1.772377 2.882569 0.012144
H -2.333477 -1.306781 1.432758
H 2.946768 3.694403 -1.522435
H -1.148857 5.078247 -0.958252
H 1.200397 5.508491 -1.742311
H 4.759149 0.377088 -1.100970
H 2.416410 -2.329992 1.348083
H -7.242723 0.491045 1.222670
H -3.153287 -4.995687 -1.542197
H 6.706543 -1.222746 -0.995856
H 4.327020 -3.909090 1.456755
H 6.487330 -3.376973 0.286520


