%chk=000298759.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298759

0 1
O 3.588939 -1.145400 0.000154
O 0.217824 3.901373 -0.000362
O 1.937437 2.598472 0.000071
O -4.202396 -1.238688 0.000250
O -2.604412 -2.700698 -0.000406
O 1.645435 -2.368164 0.000262
N 1.667107 -0.002106 0.000231
N 0.724496 2.795891 -0.000162
N -3.028143 -1.561360 -0.000050
C 0.293760 0.284669 0.000063
C -0.168788 1.628503 -0.000106
C -0.673965 -0.760757 0.000065
C -2.019230 -0.448247 -0.000068
C -1.558911 1.903576 -0.000240
C -2.487855 0.880632 -0.000214
C 2.222973 -1.307606 0.000324
C 4.359034 -2.385615 0.000033
H -0.350584 -1.821707 0.000163
H -1.886634 2.954202 -0.000370
H -3.564828 1.083259 -0.000292
H 2.344268 0.803647 0.000240
H 4.131879 -2.960640 -0.903650
H 4.131898 -2.960824 0.903604
H 5.388397 -2.005510 0.000061


%chk=000298759-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298759

0 1
O 3.620897 -1.113200 -0.000054
O 0.233968 3.956214 0.000030
O 2.021955 2.555473 -0.000183
O -4.313222 -1.203774 0.000169
O -2.638233 -2.751710 -0.000051
O 1.670566 -2.420067 -0.000180
N 1.646840 -0.036984 -0.000364
N 0.731454 2.770308 -0.000195
N -3.067982 -1.539125 -0.000018
C 0.282808 0.252372 -0.000225
C -0.185959 1.615422 -0.000129
C -0.703803 -0.778952 -0.000188
C -2.059119 -0.433396 -0.000054
C -1.570206 1.921089 -0.000002
C -2.527138 0.902009 0.000044
C 2.240948 -1.303857 -0.000473
C 4.427670 -2.356066 0.000389
H -0.396213 -1.827296 -0.000264
H -1.861457 2.974083 0.000060
H -3.598975 1.107895 0.000142
H 2.270960 0.790405 -0.000331
H 4.206688 -2.953072 -0.899762
H 4.205993 -2.952897 0.900484
H 5.469260 -2.007972 0.000757


