%chk=000250784.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250784

0 1
O 0.518625 -0.305575 -1.368112
O -5.186396 -0.893471 -0.149122
O 5.402777 -0.145926 -0.989735
C -1.898948 0.708356 -0.406841
C -0.593782 0.823361 0.388015
C -2.699739 -0.563535 0.022385
C 0.271099 -0.434088 0.046497
C 1.646990 -0.392760 0.818116
C -1.870426 -1.790276 -0.394484
C -0.491531 -1.758336 0.286183
C -4.020128 -0.344228 -0.784391
C -2.932394 1.844229 -0.331783
C 0.174420 2.111228 0.055875
C -4.247897 1.186230 -0.804368
C 2.317432 0.931447 0.454486
C 1.523718 2.165527 0.789157
C -3.023662 -0.612932 1.521248
C 2.548176 -1.609170 0.473963
C 1.402349 -0.428073 2.339143
C 3.392710 -1.425035 -0.784092
C 3.503123 1.013832 -0.168701
C 4.236729 -0.164657 -0.662855
H -1.607094 0.590251 -1.487531
H -0.817875 0.803852 1.484202
H -1.733269 -1.799821 -1.494673
H -2.393226 -2.728073 -0.138416
H -0.613320 -1.924618 1.373765
H 0.117263 -2.606238 -0.084762
H -3.966835 -0.779802 -1.801846
H -2.652066 2.696792 -0.969136
H -3.030974 2.235733 0.694183
H -0.433473 2.996371 0.316002
H 0.348947 2.159414 -1.041026
H -5.094149 1.440847 -0.138838
H -4.533838 1.527640 -1.811182
H 1.373962 2.249345 1.884072
H 2.068109 3.086981 0.498440
H -3.818018 0.102668 1.775803
H -3.379706 -1.601602 1.825350
H -2.151078 -0.367564 2.136004
H 1.931783 -2.525629 0.382040
H 3.233205 -1.805931 1.326642
H 0.653412 0.309271 2.655496
H 1.047370 -1.411074 2.668997
H 2.324307 -0.211129 2.893245
H 1.184565 -0.958385 -1.676448
H 2.753583 -1.337473 -1.690701
H 4.043687 -2.304942 -0.956558
H 3.986605 1.968250 -0.381600
H -5.034526 -1.819781 0.109692


%chk=000250784-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250784

0 1
O 0.510443 -0.418858 -1.405196
O -5.241663 -1.042501 -0.427123
O 5.476085 0.019436 -1.210561
C -1.933336 0.700774 -0.379257
C -0.586706 0.816936 0.359665
C -2.760786 -0.545098 0.063210
C 0.271920 -0.465855 0.065209
C 1.687482 -0.401150 0.809347
C -1.934796 -1.806584 -0.276799
C -0.530655 -1.758124 0.391101
C -4.030033 -0.308623 -0.818923
C -2.946836 1.874203 -0.297857
C 0.182409 2.107078 0.003987
C -4.314045 1.213885 -0.687020
C 2.345266 0.940617 0.450598
C 1.536595 2.181945 0.765189
C -3.164366 -0.535783 1.559606
C 2.638023 -1.597834 0.454957
C 1.488671 -0.462754 2.361463
C 3.541808 -1.422998 -0.785822
C 3.564995 1.041082 -0.168203
C 4.306953 -0.101019 -0.730673
H -1.685806 0.550120 -1.451456
H -0.792873 0.836777 1.449347
H -1.812978 -1.874300 -1.377003
H -2.451702 -2.729620 0.057593
H -0.644522 -1.855032 1.486017
H 0.046550 -2.645717 0.062390
H -3.765557 -0.562434 -1.871138
H -2.676145 2.699423 -0.979407
H -2.986157 2.298339 0.723893
H -0.432976 2.989065 0.262791
H 0.372115 2.133347 -1.084921
H -5.078589 1.355499 0.097404
H -4.728583 1.625212 -1.623102
H 1.329906 2.257024 1.852302
H 2.095262 3.088893 0.472834
H -3.663835 0.405165 1.847955
H -3.882413 -1.351830 1.756218
H -2.297661 -0.674042 2.229765
H 2.055020 -2.534255 0.373168
H 3.310392 -1.744187 1.323013
H 0.697516 0.210590 2.729928
H 1.235048 -1.491299 2.675252
H 2.430598 -0.184734 2.867981
H 0.883741 -1.290944 -1.688834
H 2.960356 -1.415268 -1.729237
H 4.268430 -2.251320 -0.863281
H 4.019597 2.026735 -0.332536
H -5.131565 -1.998482 -0.662034


