%chk=000223971.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223971

0 1
O -0.966325 3.028747 0.000025
O 3.637925 2.845036 0.000230
N 1.344667 3.254269 0.000107
C -0.210122 -0.077517 -0.000146
C 0.537682 1.065074 -0.000244
C 0.486608 -1.353346 -0.000148
C 1.983430 1.016802 -0.000215
C 1.906878 -1.387027 -0.000147
C 2.664139 -0.157330 -0.000137
C -1.690898 -0.047232 -0.000072
C 0.113415 2.502015 -0.000292
C 2.511422 2.421770 -0.000193
C -0.230369 -2.585693 -0.000159
C 2.578091 -2.644305 -0.000148
C -2.388950 -0.033165 1.216399
C -2.389059 -0.031634 -1.216462
C 0.440205 -3.788274 -0.000164
C 1.859352 -3.818746 -0.000159
C -3.786158 -0.006227 1.211672
C -3.786265 -0.004713 -1.211574
C -4.485068 0.006839 0.000089
H 3.755033 -0.193795 -0.000092
H -1.322909 -2.560819 -0.000174
H 1.378788 4.268969 0.000470
H 3.668248 -2.659988 -0.000145
H -1.844027 -0.033813 2.159258
H -1.844217 -0.031077 -2.159369
H -0.109087 -4.729923 -0.000167
H 2.368368 -4.782884 -0.000165
H -4.330711 0.011577 2.154789
H -4.330906 0.014269 -2.154618
H -5.573679 0.032945 0.000152


%chk=000223971-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223971

0 1
O -0.991441 3.046766 -0.000291
O 3.719218 2.838186 -0.000512
N 1.373891 3.255801 -0.000446
C -0.212736 -0.080009 -0.000069
C 0.563999 1.079897 -0.000255
C 0.493495 -1.351402 0.000052
C 2.000021 1.034061 -0.000287
C 1.949628 -1.387253 0.000010
C 2.697815 -0.161006 -0.000155
C -1.713393 -0.040946 -0.000025
C 0.148029 2.523880 -0.000304
C 2.530577 2.432847 -0.000406
C -0.217894 -2.595543 0.000139
C 2.617784 -2.653820 0.000105
C -2.431151 -0.031715 1.222550
C -2.431130 -0.028172 -1.222575
C 0.464235 -3.816363 0.000213
C 1.892292 -3.848233 0.000211
C -3.843316 -0.000230 1.222159
C -3.843293 0.003255 -1.222113
C -4.553830 0.017290 0.000039
H 3.793215 -0.172996 -0.000171
H -1.312032 -2.576562 0.000118
H 1.409122 4.276633 -0.000531
H 3.713748 -2.670745 0.000080
H -1.883140 -0.037757 2.171517
H -1.883103 -0.031447 -2.171543
H -0.097859 -4.756387 0.000261
H 2.414532 -4.810875 0.000273
H -4.386368 0.015629 2.173627
H -4.386329 0.021826 -2.173540
H -5.649082 0.046193 0.000070


