%chk=000194102.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194102

0 1
O -1.305900 -0.899504 1.033673
O -3.816029 0.757865 -0.130209
O -4.123733 -1.616569 -0.917109
O -0.914783 -3.999351 0.869499
O -0.939596 3.084795 0.217121
O 3.405816 2.455157 -1.082560
O 2.243326 -2.409533 -0.124221
N -0.205472 0.905176 -0.021492
N 1.253800 2.774533 -0.441234
N 4.448320 -2.020784 0.186444
C -2.569012 0.284676 -0.650154
C -2.763729 -1.239271 -0.885676
C -1.525972 0.395218 0.496072
C -2.024650 -1.935361 0.284693
C -0.994581 -2.990863 -0.136842
C 0.826222 0.030828 -0.371271
C -0.024737 2.328446 -0.053462
C 2.049015 0.485209 -0.763155
C -4.061961 2.162897 -0.378310
C 2.358067 1.915994 -0.796897
C 3.142350 -0.437660 -1.201941
C 3.208561 -1.685486 -0.338609
H -2.282152 0.829324 -1.569913
H -2.388162 -1.558836 -1.884031
H -1.860362 1.044570 1.345121
H -2.739486 -2.361710 1.028446
H 0.012531 -2.542682 -0.312404
H -1.323927 -3.555062 -1.031969
H -4.663253 -1.073515 -0.280411
H 0.598407 -1.061855 -0.293389
H -4.257903 2.323283 -1.441928
H -3.219252 2.774073 -0.025319
H -4.960935 2.349745 0.222217
H 1.410520 3.794166 -0.454853
H -0.359759 -3.682154 1.617756
H 4.110931 0.115173 -1.232399
H 2.965073 -0.755233 -2.257700
H 4.538819 -2.839742 0.771485
H 5.259186 -1.432354 0.113432


%chk=000194102-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194102

0 1
O -1.276933 -0.868789 1.094434
O -3.833676 0.518477 -0.275936
O -3.586502 -1.728839 -1.666345
O -1.167074 -3.737892 1.701757
O -0.955897 3.182316 0.409168
O 3.464060 2.616248 -1.032128
O 2.148865 -2.427019 -0.622966
N -0.146342 0.996102 0.088545
N 1.259377 2.844962 -0.293636
N 4.436959 -2.265960 -0.333167
C -2.452460 0.277029 -0.690978
C -2.384730 -1.243807 -1.020186
C -1.475897 0.448888 0.508973
C -2.115737 -1.883602 0.365673
C -1.340875 -3.199451 0.349001
C 0.881895 0.150185 -0.315002
C -0.011087 2.401639 0.093832
C 2.116727 0.610206 -0.712623
C -4.226467 1.939099 -0.329217
C 2.374002 2.055884 -0.709112
C 3.255406 -0.279882 -1.175812
C 3.211313 -1.732244 -0.679473
H -2.181178 0.925759 -1.545965
H -1.551648 -1.453198 -1.714984
H -1.884782 1.152206 1.253492
H -3.064645 -2.002106 0.922800
H -0.362154 -3.067488 -0.158462
H -1.932586 -3.955707 -0.193751
H -4.339292 -1.201994 -1.277036
H 0.672606 -0.919605 -0.269632
H -4.239272 2.295732 -1.378329
H -3.533956 2.568137 0.260178
H -5.240872 1.984616 0.094580
H 1.397514 3.860830 -0.287183
H -0.640900 -3.079635 2.223488
H 4.206063 0.212828 -0.902767
H 3.255511 -0.321360 -2.285515
H 4.476873 -3.243951 -0.044091
H 5.293387 -1.715011 -0.343125


