%chk=000183563.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183563

0 1
O 0.046895 2.759929 0.313666
O 2.499132 2.079372 -0.238236
O 0.748945 -2.836794 -1.035750
O 2.919364 -2.478599 0.805400
C -2.216860 0.332623 0.057503
C -1.455499 -0.951073 -0.391256
C -3.769267 0.156903 0.135555
C -1.703056 -2.078859 0.650573
C -1.796053 1.532348 -0.802630
C -4.119422 -1.322816 0.448057
C -3.070873 -1.988651 1.339312
C 0.041221 -0.645645 -0.398906
C -0.291170 1.805546 -0.742656
C -1.838315 -1.419583 -1.802808
C 0.561350 0.597301 -0.423145
C -4.297555 1.055920 1.275284
C -4.493483 0.556391 -1.164830
C 0.989452 -1.813603 -0.448750
C 2.013508 0.809794 -0.187405
C 2.880081 -0.201347 0.094394
C 2.372835 -1.573406 0.226042
C 4.356876 0.000867 0.369153
C -0.462029 4.094126 0.111433
C 5.050923 0.586533 -0.867116
C 4.561791 0.894024 1.599397
H -1.864824 0.542670 1.104822
H -0.916545 -2.061943 1.430164
H -1.593425 -3.062483 0.150343
H -2.349146 2.435095 -0.469757
H -2.089216 1.364486 -1.858809
H -4.203388 -1.895293 -0.498988
H -5.115942 -1.383708 0.921330
H -3.408629 -3.004508 1.622412
H -2.978154 -1.429635 2.291162
H 0.057942 2.246591 -1.710299
H -1.687219 -0.636708 -2.550827
H -1.233189 -2.287901 -2.107633
H -2.890205 -1.731424 -1.842024
H -4.013140 2.102203 1.132093
H -5.390138 1.021221 1.337246
H -3.909277 0.739607 2.249521
H -4.069700 0.052172 -2.039022
H -5.555848 0.290033 -1.119534
H -4.449419 1.634010 -1.346412
H 4.810931 -1.003642 0.588519
H -1.557858 4.081118 0.081132
H -0.045445 4.535424 -0.798087
H -0.111477 4.621784 1.008439
H 1.782040 2.773756 -0.015923
H 4.641091 1.573790 -1.118918
H 4.920635 -0.059505 -1.740879
H 6.125154 0.707399 -0.697448
H 4.080315 0.464145 2.483917
H 4.135090 1.892490 1.438710
H 5.625095 1.018755 1.824871


%chk=000183563-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183563

0 1
O -0.099577 2.714620 0.567901
O 2.389991 2.101030 0.230749
O 0.622936 -3.072086 -0.394930
O 3.335769 -2.575655 -0.305111
C -2.244505 0.314026 -0.029284
C -1.473146 -1.020784 -0.321868
C -3.818694 0.202832 -0.006771
C -1.823249 -2.044043 0.837486
C -1.717029 1.443391 -0.932646
C -4.233740 -1.206892 0.533420
C -3.189501 -1.764459 1.521271
C 0.039456 -0.726702 -0.284831
C -0.257451 1.772497 -0.605180
C -1.808567 -1.656165 -1.710687
C 0.580840 0.543145 -0.275332
C -4.351051 1.284583 0.978539
C -4.483820 0.447168 -1.389186
C 1.005715 -1.872113 -0.294716
C 2.030514 0.785398 -0.028738
C 3.002156 -0.201980 -0.059543
C 2.544649 -1.581171 -0.238246
C 4.493261 0.053960 0.137575
C -0.653452 4.061543 0.346248
C 5.069606 1.024641 -0.927004
C 4.807618 0.543109 1.578358
H -1.949432 0.590674 1.007233
H -1.029796 -2.022840 1.608030
H -1.804843 -3.062090 0.413589
H -2.329770 2.357752 -0.836223
H -1.773970 1.150605 -1.998070
H -4.360657 -1.917793 -0.305623
H -5.224812 -1.125871 1.022076
H -3.556649 -2.702475 1.979751
H -3.061326 -1.046131 2.355542
H 0.216176 2.293254 -1.469225
H -1.653500 -0.947527 -2.545373
H -1.157381 -2.529023 -1.879392
H -2.850796 -2.011017 -1.747716
H -3.979463 2.294848 0.719083
H -5.456298 1.320437 0.956576
H -4.037966 1.069182 2.017460
H -4.095014 -0.227983 -2.170116
H -5.573928 0.274034 -1.310021
H -4.342862 1.487648 -1.736477
H 4.981586 -0.929416 0.001944
H -1.756884 4.046585 0.385811
H -0.318519 4.476233 -0.626038
H -0.270024 4.681679 1.171293
H 1.543462 2.612123 0.494003
H 4.618748 2.027355 -0.834744
H 4.883707 0.648190 -1.949606
H 6.163394 1.121193 -0.794026
H 4.437599 -0.176091 2.331610
H 4.344108 1.525746 1.772336
H 5.901282 0.642128 1.711245


