%chk=000298917.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298917

0 1
O -3.726889 -0.989835 -1.318996
O -1.931432 4.232731 0.753625
O -1.003894 3.846622 -1.240548
O 5.360509 0.262975 -0.772222
C -0.968502 0.893071 -0.015651
C -0.120031 -0.220091 0.744338
C -2.515898 0.605827 0.030958
C -0.652442 2.269117 0.631765
C -0.594441 -1.630832 0.381852
C -0.536169 0.923618 -1.491790
C -2.772411 -0.781274 -0.599651
C -0.266101 -0.151194 2.281774
C 1.361072 -0.062103 0.377610
C -1.826864 -1.874748 -0.239181
C -3.117245 0.548765 1.442760
C -3.319152 1.646255 -0.768664
C 0.212821 -2.730984 0.731931
C -1.172508 3.458763 -0.109661
C -2.223045 -3.192591 -0.537218
C 1.889914 -0.712595 -0.760823
C 2.222290 0.723434 1.151395
C -0.189243 -4.034297 0.445594
C -1.410940 -4.270918 -0.198003
C 3.224652 -0.582075 -1.113159
C 3.574893 0.877360 0.820854
C 4.064190 0.221418 -0.311113
C 6.312626 1.073206 -0.041756
H -1.035218 2.285043 1.678948
H 0.454013 2.396003 0.701712
H 0.482989 1.310412 -1.617972
H -0.580824 -0.063756 -1.961800
H -1.175639 1.594753 -2.091306
H -1.248536 -0.527881 2.609560
H 0.487428 -0.778201 2.775596
H -0.161070 0.862848 2.677771
H -4.207825 0.423048 1.397728
H -2.721750 -0.286736 2.038889
H -2.926672 1.477864 1.993474
H -3.517147 2.552154 -0.186904
H -2.818709 1.937603 -1.703953
H -4.298522 1.235505 -1.063972
H 1.169547 -2.561894 1.228309
H -3.182316 -3.351483 -1.041015
H 1.240110 -1.333828 -1.382974
H 1.855199 1.237685 2.041004
H 0.449983 -4.873071 0.721829
H -1.721162 -5.287957 -0.429015
H 3.637378 -1.079411 -1.988547
H 4.213875 1.494734 1.442165
H -2.274327 5.061180 0.327985
H 6.432186 0.694199 0.976933
H 6.007861 2.123472 -0.055556
H 7.229388 0.922892 -0.627406


%chk=000298917-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298917

0 1
O -3.691422 -0.994865 -1.541899
O -1.956309 4.369217 0.767323
O -0.799199 3.958510 -1.196099
O 5.468709 0.245517 -0.830788
C -1.008238 0.918087 -0.017519
C -0.122352 -0.205229 0.769717
C -2.573837 0.578034 -0.010362
C -0.727349 2.301346 0.668335
C -0.622870 -1.628641 0.414239
C -0.535752 0.968301 -1.501755
C -2.755066 -0.782348 -0.718020
C -0.212122 -0.095669 2.333834
C 1.384773 -0.072718 0.376442
C -1.830453 -1.883256 -0.296958
C -3.227364 0.382518 1.401488
C -3.433537 1.657325 -0.721965
C 0.144222 -2.748779 0.833966
C -1.141044 3.565893 -0.059419
C -2.219587 -3.216881 -0.603297
C 1.923579 -0.754451 -0.753828
C 2.283374 0.739173 1.112830
C -0.256412 -4.068789 0.550324
C -1.443980 -4.309930 -0.184496
C 3.269941 -0.631045 -1.127526
C 3.644786 0.882712 0.754028
C 4.143594 0.193959 -0.375495
C 6.405902 1.092111 -0.088562
H -1.176319 2.342001 1.672050
H 0.371630 2.382973 0.783153
H 0.501247 1.328827 -1.576989
H -0.583769 -0.028430 -1.974078
H -1.149668 1.654490 -2.100875
H -1.207539 -0.360428 2.712447
H 0.511840 -0.795147 2.786329
H 0.028474 0.912164 2.709006
H -4.324938 0.366043 1.278506
H -2.939446 -0.564242 1.884819
H -2.979902 1.219749 2.077562
H -3.548173 2.548610 -0.081725
H -3.030666 1.966919 -1.698615
H -4.435274 1.236857 -0.913390
H 1.083769 -2.580087 1.371573
H -3.148096 -3.355412 -1.166991
H 1.276985 -1.404657 -1.351099
H 1.943113 1.266696 2.009636
H 0.359925 -4.908151 0.891556
H -1.754503 -5.333979 -0.417479
H 3.667438 -1.162525 -1.997421
H 4.292625 1.521756 1.361584
H -2.172940 5.211039 0.280040
H 6.515087 0.749787 0.959170
H 6.087059 2.152597 -0.101375
H 7.366055 0.987252 -0.614429


