%chk=000298127.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298127

0 1
O 1.652044 1.342514 2.349997
O 3.681596 2.070500 2.783420
O -3.472697 -2.768328 0.342304
O -3.899209 1.943611 -1.105906
O 5.503041 1.929149 0.951387
O -4.906698 -0.789611 -1.305339
O 5.505290 1.409762 -1.827638
C 0.757590 0.706854 1.366011
C 1.333199 -0.639917 0.940998
C -0.560411 0.608722 2.138176
C 2.757229 -0.544641 0.447679
C -1.692930 0.239293 1.221918
C 3.504729 0.609739 0.908077
C 2.986789 1.365823 2.059010
C 3.246474 -1.583833 -0.275076
C -2.288803 1.224920 0.423566
C -2.123412 -1.086622 1.148204
C 4.701665 1.038034 0.381544
C -3.195472 -1.431312 0.298943
C -3.346499 0.878786 -0.427947
C -3.839630 -0.445275 -0.479731
C 4.592555 -1.787690 -0.758720
C 5.276324 0.594076 -0.973287
C 5.506950 -0.847151 -1.056908
C -4.496731 -3.303671 -0.537647
C -4.177118 1.746611 -2.519924
C -6.188941 -0.341452 -0.772140
H 0.691484 1.420107 0.512994
H 0.668285 -1.088331 0.168347
H 1.302297 -1.357905 1.793016
H -0.759149 1.585838 2.638637
H -0.465626 -0.107650 2.981531
H 2.571332 -2.416510 -0.510362
H -1.954022 2.259786 0.453254
H -1.662874 -1.869897 1.745800
H 4.856520 -2.844584 -0.918768
H 6.492408 -1.114276 -1.451206
H 5.159962 2.264977 1.892304
H -4.342200 -4.383200 -0.426675
H -4.334815 -2.970292 -1.569079
H -5.481594 -2.994525 -0.178369
H -3.226672 1.769691 -3.061174
H -4.793065 2.621575 -2.755345
H -4.714275 0.809203 -2.703775
H -6.384304 -0.825534 0.187682
H -6.890082 -0.673956 -1.543506
H -6.190939 0.748790 -0.667977


%chk=000298127-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298127

0 1
O 1.686354 1.447771 2.407911
O 3.787284 2.057786 2.924632
O -3.775035 -2.756968 0.760366
O -3.905579 1.745896 -1.355417
O 5.691690 1.640444 1.460604
O -5.043182 -0.891779 -1.152563
O 6.962969 0.813928 -0.626322
C 0.724392 0.791047 1.455408
C 1.317362 -0.556655 1.051355
C -0.613082 0.723446 2.213740
C 2.672984 -0.382375 0.369175
C -1.759227 0.287150 1.310472
C 3.570460 0.576283 0.996750
C 3.034481 1.373399 2.145904
C 2.910267 -1.183751 -0.743350
C -2.301004 1.189852 0.360821
C -2.268578 -1.027290 1.376486
C 4.948070 0.831791 0.678360
C -3.336849 -1.446187 0.542188
C -3.354806 0.783949 -0.480442
C -3.916762 -0.523096 -0.373406
C 4.072233 -1.272594 -1.576573
C 5.782704 0.347690 -0.504327
C 5.286489 -0.616718 -1.482010
C -4.391807 -3.529379 -0.336984
C -3.877587 1.394264 -2.795183
C -6.294732 -0.208869 -0.734705
H 0.638496 1.463272 0.579115
H 0.614253 -1.081157 0.384055
H 1.426906 -1.174229 1.967391
H -0.808364 1.729629 2.628271
H -0.499066 0.032607 3.068686
H 2.082610 -1.843927 -1.033127
H -1.932696 2.217176 0.269066
H -1.868286 -1.756587 2.088548
H 3.978396 -1.971645 -2.418877
H 6.044985 -0.838200 -2.244096
H 5.100857 1.966665 2.274854
H -4.318510 -4.577682 -0.006923
H -3.839781 -3.383965 -1.282716
H -5.443976 -3.241969 -0.488396
H -2.830425 1.314738 -3.143813
H -4.378789 2.230110 -3.306157
H -4.411858 0.446242 -2.981144
H -6.549738 -0.482782 0.306123
H -7.072119 -0.571803 -1.424434
H -6.182808 0.886670 -0.821019


