%chk=000245341.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245341

0 1
O 0.018447 2.960444 0.938437
O 2.246384 2.708187 0.913419
O -2.212326 2.733796 0.917249
C 1.150479 -0.225582 -0.062693
C -1.152027 -0.212532 -0.060520
C 0.785748 0.709566 1.156333
C -0.774368 0.718505 1.157763
C -0.006637 -1.278134 0.075152
C 0.674102 0.505418 -1.329841
C -0.669783 0.513057 -1.328537
C 2.564522 -0.713970 -0.070433
C -2.571514 -0.684873 -0.065550
C 1.189130 2.160511 0.988867
C -1.161351 2.173962 0.990936
C 2.864223 -2.072606 0.107299
C -2.886295 -2.040018 0.112636
C 3.614054 0.199213 -0.266052
C -3.610970 0.240173 -0.259232
C 4.192205 -2.510616 0.086822
C -4.219206 -2.462910 0.094634
C 4.938992 -0.241328 -0.284674
C -4.940851 -0.185277 -0.275434
C 5.231854 -1.597795 -0.109619
C -5.248784 -1.538333 -0.099817
H 1.222921 0.299987 2.091319
H -1.214527 0.314041 2.093571
H -0.011610 -2.015270 -0.740015
H -0.008820 -1.826129 1.023522
H 1.364399 0.911232 -2.044981
H -1.356755 0.926695 -2.042421
H 2.070453 -2.800909 0.260086
H -2.100617 -2.777348 0.263895
H 3.401344 1.264086 -0.391934
H -3.386373 1.302543 -0.385630
H 4.414935 -3.567660 0.224128
H -4.453633 -3.517380 0.232272
H 5.745210 0.476359 -0.434226
H -5.739160 0.541478 -0.423596
H 6.265113 -1.940129 -0.125620
H -6.285909 -1.868856 -0.113916


%chk=000245341-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245341

0 1
O 0.018632 3.006118 1.058133
O 2.325307 2.684976 1.113142
O -2.291498 2.711831 1.116674
C 1.162103 -0.183407 -0.087459
C -1.163022 -0.170529 -0.085793
C 0.781048 0.712897 1.204761
C -0.770114 0.721887 1.205761
C -0.006150 -1.214046 0.026571
C 0.683662 0.625023 -1.305980
C -0.677524 0.632482 -1.305038
C 2.587451 -0.706093 -0.111996
C -2.594172 -0.677133 -0.107552
C 1.201663 2.175516 1.126889
C -1.173873 2.189261 1.128387
C 2.873183 -2.061487 0.193640
C -2.894891 -2.029322 0.198012
C 3.667882 0.157245 -0.435625
C -3.665322 0.198770 -0.428289
C 4.201105 -2.544431 0.179770
C -4.228379 -2.496794 0.187002
C 4.994527 -0.323211 -0.450080
C -4.997466 -0.266223 -0.439894
C 5.268130 -1.676213 -0.142332
C -5.286042 -1.616098 -0.132128
H 1.232818 0.248736 2.097246
H -1.226177 0.262995 2.098786
H -0.010658 -1.923315 -0.818154
H -0.008499 -1.767666 0.984392
H 1.352452 1.144250 -1.996160
H -1.341458 1.159099 -1.994310
H 2.057679 -2.751507 0.436325
H -2.086933 -2.729057 0.438236
H 3.479528 1.213273 -0.654893
H -3.465405 1.252706 -0.647403
H 4.400527 -3.595732 0.416051
H -4.439410 -3.545837 0.423241
H 5.814800 0.359919 -0.696420
H -5.810325 0.426527 -0.683925
H 6.298684 -2.047953 -0.154263
H -6.320865 -1.975858 -0.141726


