%chk=000231382.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231382

0 1
O -2.939546 -0.013511 -0.948099
O 0.916426 2.822874 1.418552
O 1.315549 2.401654 -0.749801
O 3.615097 -1.977170 -1.711766
O 4.001252 -1.503592 0.442284
O -2.521778 0.187222 1.309327
N -0.839621 0.420177 -0.289235
C 0.237404 0.678522 0.678643
C 1.313617 -0.420711 0.682234
C 1.983874 -0.641920 -0.674251
C 0.876405 2.025538 0.309948
C 3.277347 -1.382422 -0.516501
C -2.142357 0.194258 0.157359
C -4.355283 -0.305009 -0.685996
C -4.509964 -1.718500 -0.171957
H -0.210106 0.756832 1.720842
H 2.083505 -0.173438 1.451132
H 0.852260 -1.370121 1.032752
H 2.192438 0.330496 -1.190979
H 1.313068 -1.190821 -1.372357
H -0.613195 0.394466 -1.282145
H -4.741981 0.453249 0.018038
H -4.770309 -0.155332 -1.700645
H 1.328665 3.715659 1.246897
H -5.565668 -2.010461 -0.112171
H -3.999021 -2.444922 -0.816969
H -4.083838 -1.824149 0.838587
H 4.481760 -2.464367 -1.668824


%chk=000231382-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231382

0 1
O -2.999446 0.156374 -0.728755
O 1.978774 2.810694 0.958533
O 0.723335 2.946407 -0.991527
O 3.213914 -2.123400 -1.529252
O 2.618493 -2.530530 0.677851
O -2.097482 -0.328952 1.403084
N -0.931186 0.929781 -0.193870
C 0.216230 1.191706 0.678302
C 1.159108 -0.039893 0.845521
C 1.759638 -0.516372 -0.487790
C 0.960656 2.393971 0.106555
C 2.544045 -1.804423 -0.336579
C -2.008470 0.204689 0.264318
C -4.216276 -0.634087 -0.382435
C -4.012675 -2.120045 -0.690313
H -0.143569 1.455962 1.691976
H 1.959574 0.225773 1.557681
H 0.565310 -0.847382 1.306633
H 2.430359 0.238178 -0.941306
H 0.958719 -0.696586 -1.232087
H -0.983391 1.410740 -1.096185
H -4.446840 -0.475123 0.685731
H -5.001618 -0.184579 -1.011193
H 2.452814 3.590890 0.561565
H -4.955153 -2.671006 -0.512454
H -3.720484 -2.267697 -1.744494
H -3.235000 -2.550288 -0.037034
H 3.706618 -2.980300 -1.407574


