%chk=000148921.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000148921

0 1
O -0.868222 2.297979 -0.928744
O -2.372898 -0.967049 0.136651
O -2.047189 3.015345 0.867012
O -4.290888 0.221622 -0.022415
C -1.603835 1.035419 -1.025767
C -1.551247 0.244893 0.298319
C -0.866358 0.282550 -2.132226
C 0.594114 0.018424 -1.746851
C 0.781741 -0.472462 -0.335916
C -0.199620 -0.336737 0.614979
C 2.066549 -1.054870 0.029122
C 0.016732 -0.776414 1.970032
C 2.272217 -1.483117 1.382250
C 1.203421 -1.325780 2.341130
C 3.111761 -1.213887 -0.893208
C 3.499486 -2.046274 1.761200
C 4.341025 -1.776742 -0.518201
C 4.540046 -2.200841 0.834575
C -1.209729 3.234956 0.022253
C -3.744194 -0.855103 0.052527
C 5.420573 -1.942260 -1.464661
C 5.812611 -2.777871 1.203796
C -0.400767 4.464581 -0.163094
C -4.363044 -2.202516 0.040228
C 6.606377 -2.491122 -1.078085
C 6.805945 -2.916650 0.281508
C -0.626576 5.538099 0.714190
C 0.563199 4.568254 -1.176608
C -5.758947 -2.287148 -0.091376
C -3.589626 -3.366651 0.160570
C 0.114411 6.713145 0.573268
C 1.301006 5.746833 -1.310808
C -6.376487 -3.539226 -0.104642
C -4.215190 -4.615656 0.145970
C 1.076778 6.816930 -0.437504
C -5.605423 -4.701432 0.013568
H -2.655677 1.296125 -1.287691
H -1.986694 0.842508 1.137013
H -0.908513 0.854794 -3.078821
H -1.395784 -0.677647 -2.311937
H 1.170432 0.967114 -1.853677
H 1.033372 -0.699865 -2.469847
H -0.799722 -0.658225 2.683900
H 1.377706 -1.658571 3.363097
H 2.976145 -0.898241 -1.928314
H 3.645977 -2.368038 2.791951
H 5.256855 -1.616068 -2.490545
H 5.949843 -3.095385 2.236397
H 7.426546 -2.620632 -1.782270
H 7.768924 -3.349784 0.547834
H -1.381568 5.443476 1.499946
H 0.728748 3.725815 -1.852489
H -6.349408 -1.370985 -0.180446
H -2.503471 -3.285987 0.265412
H -0.057630 7.548106 1.251150
H 2.050993 5.831863 -2.095555
H -7.458527 -3.610115 -0.205916
H -3.618883 -5.522182 0.239032
H 1.654148 7.735388 -0.544703
H -6.090661 -5.677586 0.003239


%chk=000148921-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148921

0 1
O -0.692972 2.216225 -1.126490
O -2.469257 -0.927765 -0.225523
O -2.705019 3.278015 -0.592407
O -3.278892 -0.653161 1.950909
C -1.432238 0.933330 -1.332004
C -1.458998 0.177870 0.007347
C -0.672846 0.140418 -2.393222
C 0.779170 -0.154921 -1.962222
C 0.923189 -0.582129 -0.506382
C -0.124911 -0.421562 0.408981
C 2.193339 -1.123326 -0.045789
C 0.037539 -0.801318 1.791817
C 2.343173 -1.513347 1.354567
C 1.228663 -1.337956 2.249973
C 3.309685 -1.279757 -0.906481
C 3.575302 -2.041435 1.809226
C 4.546390 -1.804749 -0.452043
C 4.685173 -2.200230 0.944477
C -1.458425 3.327714 -0.734904
C -3.332410 -1.231542 0.836734
C 5.678192 -1.961359 -1.330407
C 5.945443 -2.733911 1.395416
C -0.614124 4.538503 -0.527567
C -4.300273 -2.308809 0.478605
C 6.881373 -2.479763 -0.860682
C 7.016624 -2.870641 0.517726
C -1.267072 5.755731 -0.200327
C 0.800564 4.499620 -0.636577
C -5.262907 -2.685544 1.451375
C -4.279632 -2.955502 -0.784591
C -0.510901 6.926225 0.011394
C 1.552852 5.673364 -0.421138
C -6.198963 -3.698913 1.162057
C -5.217776 -3.969972 -1.068874
C 0.900039 6.887245 -0.098938
C -6.178334 -4.342909 -0.098503
H -2.467197 1.169772 -1.633896
H -1.864268 0.813340 0.815031
H -0.681874 0.686624 -3.353053
H -1.225918 -0.806631 -2.540934
H 1.398633 0.749959 -2.124889
H 1.192539 -0.936740 -2.627093
H -0.809602 -0.653990 2.470730
H 1.343825 -1.624535 3.301572
H 3.234987 -0.986012 -1.959070
H 3.670590 -2.331874 2.863237
H 5.575091 -1.663898 -2.381030
H 6.046191 -3.030873 2.446255
H 7.734910 -2.594213 -1.537861
H 7.971102 -3.276988 0.870038
H -2.358854 5.759071 -0.116236
H 1.292555 3.553939 -0.879634
H -5.258775 -2.172470 2.418664
H -3.530995 -2.660289 -1.524688
H -1.015753 7.865029 0.262968
H 2.644832 5.643371 -0.500993
H -6.942031 -3.986959 1.913326
H -5.201544 -4.470334 -2.043151
H 1.487547 7.797085 0.068031
H -6.905850 -5.131023 -0.323055


