%chk=000231682.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231682

0 1
O -2.687789 3.477092 -0.718077
O -1.058557 -1.116951 -2.425828
O -1.342010 0.714949 2.017288
O -3.250501 -3.281570 0.938093
N -2.138934 -2.174508 -0.751732
N -2.296937 -1.247784 1.458324
C -1.118751 0.109135 -0.327578
C 0.409770 0.344828 -0.328175
C -1.886715 1.309203 -0.927271
C 1.209097 -0.869437 0.164148
C -1.404960 -1.070725 -1.268767
C -1.565853 -0.073132 1.126543
C -1.590091 2.651367 -0.253909
C 2.680498 -0.544903 0.173471
C -2.618875 -2.314621 0.577556
C 3.459175 -0.773902 -0.970831
C 3.275713 -0.005041 1.323383
C 4.822954 -0.469356 -0.960457
C 4.640110 0.297260 1.327703
C -2.696573 4.793136 -0.136816
C 5.416145 0.065709 0.187533
H 0.645850 1.225263 0.307684
H 0.734104 0.615205 -1.356875
H -2.984921 1.130766 -0.880867
H -1.657857 1.391315 -2.014639
H 1.020172 -1.751704 -0.482565
H 0.879363 -1.170602 1.179909
H -1.610633 2.595097 0.851486
H -0.638842 3.096300 -0.590689
H -2.350823 -2.951983 -1.400713
H -2.625508 -1.344058 2.434719
H 3.003178 -1.188709 -1.868244
H 2.677162 0.179269 2.213739
H 5.424937 -0.650093 -1.849867
H 5.099543 0.714098 2.222769
H -2.813042 4.735172 0.949603
H -3.582077 5.249470 -0.597672
H -1.791868 5.342976 -0.411325
H 6.478450 0.300669 0.193645


%chk=000231682-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231682

0 1
O -2.690905 3.439884 -0.745832
O -0.845222 -1.307479 -2.329533
O -1.198894 0.428419 2.176218
O -3.876655 -3.073016 0.717601
N -2.375883 -2.122333 -0.803379
N -2.566799 -1.254316 1.385191
C -1.101160 -0.025044 -0.244656
C 0.423447 0.288195 -0.249470
C -1.929760 1.186251 -0.840183
C 1.310941 -0.894300 0.224820
C -1.394326 -1.196150 -1.204132
C -1.588411 -0.258855 1.195935
C -1.679906 2.545564 -0.169502
C 2.786207 -0.520502 0.192223
C -3.009794 -2.206413 0.449030
C 3.550966 -0.701702 -0.989056
C 3.413633 0.058058 1.325499
C 4.909545 -0.316075 -1.037531
C 4.772192 0.445262 1.281262
C -2.566183 4.806852 -0.242099
C 5.525050 0.259709 0.098438
H 0.603131 1.153397 0.411429
H 0.710083 0.573072 -1.277710
H -3.014154 0.973003 -0.771725
H -1.676838 1.261596 -1.913327
H 1.132815 -1.768543 -0.429793
H 1.019174 -1.175841 1.255154
H -1.793870 2.488848 0.932933
H -0.662173 2.928587 -0.397477
H -2.639884 -2.843407 -1.483206
H -2.964501 -1.341428 2.326542
H 3.078512 -1.151369 -1.871557
H 2.834772 0.200242 2.246957
H 5.487723 -0.467114 -1.956294
H 5.243520 0.886413 2.167011
H -2.696791 4.847569 0.860249
H -3.365168 5.388550 -0.727605
H -1.579727 5.247232 -0.501294
H 6.579396 0.556383 0.063568


