%chk=000236527.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236527

0 1
O -0.059973 -1.425173 0.393709
O -0.021225 2.128017 0.894492
O 2.117206 0.006534 -1.452424
O -2.479871 0.734047 0.088800
O -0.710455 -1.821665 -1.737665
O -0.368159 2.777647 3.029564
O 2.923139 -2.108271 -1.387205
O -3.374810 -1.342186 0.220442
N 3.036166 2.068072 0.947065
C 0.279184 -0.047364 0.074163
C -0.331619 0.749901 1.244020
C 1.823305 -0.038183 -0.025781
C -1.848362 0.575869 1.388504
C 2.486687 1.144919 0.524934
C -0.613198 -2.227532 -0.604929
C -0.023093 3.077217 1.913651
C 2.649826 -1.138391 -2.047467
C -3.207445 -0.326604 -0.417062
C -1.030169 -3.508592 0.006051
C 0.452022 4.363368 1.352318
C 2.769838 -0.881530 -3.502286
C -3.664801 0.017909 -1.785758
H -0.174995 0.258612 -0.905178
H 0.160784 0.508974 2.218673
H 2.250093 -0.984437 0.421577
H -2.101450 -0.414396 1.821842
H -2.285353 1.388642 2.002381
H -0.456688 -3.759969 0.913031
H -0.939974 -4.344640 -0.704504
H -2.097288 -3.439836 0.311176
H 1.557170 4.422775 1.411925
H 0.042760 5.219878 1.909585
H 0.193400 4.480707 0.286887
H 1.957515 -1.392351 -4.050884
H 3.725199 -1.264274 -3.895968
H 2.698930 0.191297 -3.751563
H -3.608964 1.098826 -1.994038
H -4.699546 -0.315822 -1.958372
H -3.025182 -0.489595 -2.534006


%chk=000236527-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236527

0 1
O -0.029436 -1.294527 -0.030859
O -0.193008 2.269007 0.914262
O 2.145417 -0.300736 -1.580920
O -2.623826 0.730774 0.282840
O -1.115688 -1.275083 -2.107634
O 0.091194 2.606567 3.205685
O 3.556999 -1.852890 -0.535801
O -3.504523 -1.434447 0.336042
N 2.818384 2.717981 -0.145395
C 0.245057 0.156731 -0.123509
C -0.318962 0.808533 1.157308
C 1.787380 0.262071 -0.250068
C -1.771304 0.430748 1.459270
C 2.330845 1.631328 -0.188584
C -0.736758 -1.905940 -1.101018
C 0.055019 3.077073 2.048645
C 3.062534 -1.387405 -1.580048
C -3.450656 -0.301774 -0.196087
C -0.979023 -3.359093 -0.789126
C 0.279204 4.504734 1.624739
C 3.314101 -1.828145 -3.000133
C -4.188536 0.144814 -1.432320
H -0.244199 0.574647 -1.020755
H 0.279380 0.544603 2.052467
H 2.266852 -0.363553 0.531810
H -1.853074 -0.641084 1.709959
H -2.142083 1.042899 2.297280
H -0.162065 -3.781405 -0.184546
H -1.108959 -3.926806 -1.722715
H -1.916359 -3.426554 -0.205654
H 1.225911 4.565315 1.056675
H 0.336124 5.154066 2.509894
H -0.529029 4.839763 0.953462
H 2.360761 -1.949186 -3.540534
H 3.880598 -2.770164 -3.002342
H 3.894606 -1.052043 -3.530040
H -4.384418 1.227426 -1.410926
H -5.127208 -0.420485 -1.532994
H -3.550650 -0.075359 -2.308629


