%chk=000244321.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244321

0 1
O 2.176992 2.812221 0.889751
O 2.726254 -2.580109 0.002862
O 0.567366 -1.687410 -2.427546
O -1.292219 0.656854 -2.300709
O 3.438551 1.701565 -0.635575
O 1.081532 -1.873914 1.399007
N 0.122916 1.285323 -0.571952
C 1.301708 0.749088 0.151306
C 1.687295 -0.565530 -0.570054
C -0.751273 2.272212 0.106477
C 0.630757 -0.774648 -1.665537
C -0.348948 0.434635 -1.589519
C -1.448754 1.713517 1.358489
C 2.446184 1.772484 0.045217
C 1.747712 -1.722609 0.400791
C -2.374993 0.572077 1.037334
C -1.963515 -0.752419 1.244141
C -3.654516 0.830770 0.521672
C 3.151113 3.909571 0.967962
C 2.899663 -3.832164 0.755199
C -2.828284 -1.807658 0.940157
C -4.512793 -0.228613 0.217213
C 4.340178 3.481380 1.798218
C -4.102729 -1.549579 0.426726
C 1.809364 -4.806621 0.372792
H 1.072560 0.570730 1.241194
H 2.692097 -0.462004 -1.086063
H -0.120233 3.150846 0.383096
H -1.508288 2.613690 -0.641492
H -0.695837 1.403880 2.113097
H -2.014182 2.535627 1.847276
H -0.970432 -0.971295 1.643947
H -3.977979 1.854751 0.349457
H 2.535210 4.690624 1.450463
H 3.427997 4.201572 -0.060732
H 2.909840 -3.593310 1.832884
H 3.904232 -4.133767 0.403295
H -2.504486 -2.834407 1.103923
H -5.502220 -0.024701 -0.189051
H 4.032850 3.061110 2.764700
H 4.933981 2.711474 1.281629
H 5.010782 4.325823 2.002214
H -4.772087 -2.372666 0.186611
H 2.020872 -5.815406 0.748334
H 1.696149 -4.877054 -0.719164
H 0.832715 -4.502537 0.777460


%chk=000244321-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244321

0 1
O 2.083999 2.709064 1.111600
O 2.856891 -2.682628 -0.159092
O 0.824203 -1.858723 -2.519605
O -1.140017 0.419476 -2.608675
O 3.329610 1.901265 -0.690633
O 1.317067 -1.900636 1.415947
N 0.110399 1.104792 -0.715094
C 1.295979 0.689613 0.077797
C 1.828974 -0.585926 -0.611554
C -0.762934 2.217969 -0.312649
C 0.822981 -0.876391 -1.760176
C -0.198962 0.274352 -1.788198
C -1.483930 1.975941 1.048250
C 2.361016 1.805200 0.095050
C 1.956201 -1.766232 0.343035
C -2.425887 0.781116 1.028870
C -1.991937 -0.502755 1.449499
C -3.754850 0.926102 0.552726
C 3.035913 3.863672 1.268856
C 2.973516 -3.992120 0.567391
C -2.866047 -1.612825 1.394710
C -4.629832 -0.180503 0.496550
C 4.234323 3.455070 2.127481
C -4.187272 -1.456086 0.918319
C 1.884421 -4.957032 0.094655
H 0.998729 0.475202 1.119523
H 2.809329 -0.401937 -1.089580
H -0.169370 3.148946 -0.248169
H -1.503721 2.327571 -1.124619
H -0.726072 1.871163 1.846947
H -2.046011 2.903982 1.267958
H -0.971527 -0.647696 1.825782
H -4.106304 1.912163 0.222485
H 2.419133 4.636902 1.752756
H 3.349036 4.193163 0.262918
H 2.908344 -3.796235 1.652094
H 3.983788 -4.338352 0.299585
H -2.512742 -2.596384 1.724180
H -5.652489 -0.050155 0.124883
H 3.905720 3.068784 3.107397
H 4.838756 2.685006 1.620192
H 4.878636 4.336209 2.302760
H -4.864338 -2.316560 0.874488
H 2.042375 -5.948545 0.557839
H 1.914965 -5.074482 -1.001518
H 0.883037 -4.597112 0.384537


