%chk=000250116.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250116

0 1
O 2.365470 -1.256149 -1.431885
O -2.445844 -1.600185 0.153037
O -0.631479 -1.622605 1.506739
N 0.467553 -0.037998 -1.248722
C 2.027523 -0.125530 0.687696
C -0.399620 0.888632 -0.566169
C 1.690185 -0.531208 -0.724031
C 3.501661 -0.414614 1.001206
C -1.318048 0.428671 0.398737
C 0.054851 -0.400015 -2.629168
C -0.345505 2.257368 -0.881749
C 3.834113 -0.106410 2.457045
C -2.178793 1.334551 1.032467
C -1.203383 3.150835 -0.238815
C -2.118873 2.693168 0.716151
C -1.369515 -1.010312 0.770387
C -2.632067 -3.022906 0.393339
H 1.370384 -0.699214 1.390716
H 1.799174 0.941451 0.876799
H 3.725343 -1.478481 0.771965
H 4.151862 0.174821 0.324621
H -0.943788 -0.866762 -2.620579
H 0.776217 -1.129027 -3.051637
H 0.037254 0.484330 -3.284537
H 0.366123 2.613069 -1.627363
H 3.657926 0.946560 2.702580
H 4.887034 -0.322467 2.673149
H 3.230174 -0.709956 3.145695
H -2.896839 0.973678 1.771332
H -1.159589 4.213273 -0.483604
H -2.787459 3.396447 1.211417
H -2.695062 -3.215310 1.468911
H -1.797479 -3.575040 -0.050959
H -3.578206 -3.227365 -0.118471


%chk=000250116-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250116

0 1
O 2.649032 -1.125490 -1.508440
O -2.386069 -1.497197 1.150982
O -1.127232 -2.007558 -0.736237
N 0.678482 0.109806 -1.466077
C 1.983648 -0.164197 0.652565
C -0.303905 0.903766 -0.768059
C 1.814664 -0.435396 -0.848098
C 3.439925 -0.356208 1.125098
C -1.374957 0.332690 -0.012411
C 0.397221 -0.213872 -2.881012
C -0.191390 2.313160 -0.849117
C 3.575583 -0.222363 2.656110
C -2.283408 1.193844 0.661005
C -1.110315 3.158075 -0.191486
C -2.158582 2.594042 0.572354
C -1.578470 -1.147742 0.057405
C -2.677697 -2.944426 1.281690
H 1.325425 -0.871888 1.199855
H 1.622944 0.849427 0.910632
H 3.794416 -1.346508 0.788088
H 4.087589 0.385980 0.619916
H -0.480361 -0.880607 -2.951092
H 1.281610 -0.737468 -3.277562
H 0.215419 0.709461 -3.460639
H 0.637548 2.731433 -1.430170
H 3.245575 0.773858 3.008159
H 4.624752 -0.360616 2.975412
H 2.962703 -0.981921 3.178340
H -3.088125 0.743552 1.248037
H -1.005095 4.245736 -0.268357
H -2.873047 3.240470 1.092587
H -1.739626 -3.515148 1.384216
H -3.223565 -3.306795 0.394269
H -3.293393 -3.024600 2.188336


