%chk=000229143.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229143

0 1
O -4.644247 -0.240837 -0.389541
O -5.244112 -0.874185 1.722225
C 4.126300 -0.108154 -0.067774
C 5.571864 0.393636 0.049155
C 3.118790 1.031484 0.136031
C 6.579241 -0.746092 -0.154681
C 1.675016 0.527564 0.018303
C 8.024712 -0.244566 -0.037847
C 0.663068 1.666640 0.222326
C 9.033514 -1.383754 -0.241680
C -0.746680 1.156729 0.102904
C 10.474121 -0.890272 -0.126429
C -1.429432 0.690536 1.235662
C -1.385453 1.134398 -1.150224
C -2.738149 0.208760 1.138228
C -2.688685 0.659278 -1.273894
C -3.344766 0.202918 -0.118370
C -6.801947 -1.100984 -0.194474
C -5.521164 -0.757076 0.559835
C -7.939474 -0.264574 0.388487
C -7.048562 -2.602343 -0.058552
H 3.969606 -0.576733 -1.058578
H 3.944648 -0.908610 0.675354
H 5.729114 0.861446 1.040162
H 5.754142 1.193810 -0.693865
H 3.275972 1.499009 1.127268
H 3.301439 1.831871 -0.606731
H 6.397376 -1.546272 0.588511
H 6.422278 -1.214270 -1.145534
H 1.514105 0.059216 -0.972274
H 1.488850 -0.272952 0.760839
H 8.183410 0.223457 0.952628
H 8.208307 0.555637 -0.780266
H 0.847097 2.473421 -0.515779
H 0.821130 2.139910 1.212744
H 8.852321 -2.184250 0.502081
H 8.877226 -1.851758 -1.233300
H 10.673782 -0.454463 0.859083
H 11.186351 -1.709861 -0.273027
H 10.698832 -0.122367 -0.875304
H -0.938527 0.699867 2.208681
H -0.857321 1.490309 -2.034137
H -3.266246 -0.152405 2.023816
H -3.199563 0.635397 -2.233397
H -6.667666 -0.842403 -1.278983
H -8.069543 -0.446709 1.464627
H -8.892408 -0.504268 -0.098975
H -7.764245 0.810282 0.255061
H -7.131526 -2.908339 0.993903
H -7.981924 -2.893248 -0.555905
H -6.239574 -3.190326 -0.509797


%chk=000229143-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229143

0 1
O -4.787439 -0.133367 -0.417793
O -5.548604 -0.457553 1.789540
C 4.185825 -0.133817 -0.054194
C 5.650283 0.349517 0.046811
C 3.156683 1.006196 0.116803
C 6.685564 -0.784193 -0.129624
C 1.691337 0.529185 0.013456
C 8.148713 -0.296628 -0.030930
C 0.671405 1.690968 0.178429
C 9.186060 -1.428455 -0.211244
C -0.774199 1.232523 0.067347
C 10.644715 -0.931210 -0.114790
C -1.534380 0.908548 1.218060
C -1.395098 1.082662 -1.201300
C -2.869050 0.448831 1.135182
C -2.722690 0.626651 -1.313626
C -3.452785 0.311874 -0.145588
C -7.007930 -0.989854 -0.140403
C -5.740588 -0.499631 0.555875
C -8.258976 -0.599706 0.676658
C -6.904436 -2.532046 -0.323831
H 4.028907 -0.625546 -1.037037
H 4.002501 -0.912890 0.715041
H 5.807366 0.838739 1.031048
H 5.830595 1.131964 -0.720150
H 3.314032 1.497648 1.100035
H 3.342821 1.785812 -0.651951
H 6.507571 -1.566388 0.638051
H 6.528461 -1.274210 -1.113511
H 1.526844 0.037030 -0.966640
H 1.491723 -0.241280 0.785386
H 8.308025 0.191282 0.953670
H 8.326952 0.486999 -0.797213
H 0.886193 2.457634 -0.592758
H 0.841228 2.172271 1.161579
H 9.009153 -2.210177 0.555766
H 9.024456 -1.916554 -1.194229
H 10.840146 -0.465476 0.869755
H 11.365661 -1.759224 -0.245815
H 10.856632 -0.172153 -0.891562
H -1.079800 1.021868 2.209965
H -0.835035 1.333204 -2.110420
H -3.439175 0.211994 2.033642
H -3.208672 0.514473 -2.287634
H -7.041733 -0.522045 -1.140680
H -8.190544 -1.001651 1.702337
H -9.166003 -1.008555 0.196546
H -8.370070 0.496906 0.748797
H -6.853007 -3.035774 0.658265
H -7.797832 -2.903303 -0.856973
H -6.010407 -2.809592 -0.909553


