%chk=000297706.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297706

0 1
O -7.021623 -0.749108 -0.801021
O -6.448127 -0.866919 1.355098
C -1.943812 0.587659 0.122071
C -2.331193 -0.761174 -0.517641
C -3.021524 1.647592 -0.190741
C -4.778035 -0.162486 -0.339640
C -3.709500 -1.230175 -0.038435
C -4.404697 1.193123 0.289093
C -0.567013 1.068393 -0.376951
C 0.583308 0.223807 0.186658
C 1.944975 0.729238 -0.309279
C -6.106528 -0.619721 0.223679
C 3.095473 -0.115527 0.254628
C 4.457300 0.389384 -0.241125
C 5.607984 -0.454842 0.323267
C 6.969549 0.049910 -0.172709
C 8.121621 -0.793780 0.391134
C 9.479389 -0.295950 -0.099546
H -1.897077 0.452756 1.230704
H -2.322426 -0.673247 -1.620717
H -1.571383 -1.526901 -0.269569
H -2.760297 2.607042 0.294456
H -3.046401 1.852757 -1.277884
H -4.873137 -0.039825 -1.450411
H -3.682694 -1.439232 1.050817
H -3.976390 -2.185215 -0.529541
H -5.164271 1.955062 0.030019
H -4.414555 1.110059 1.395513
H -0.538110 1.056117 -1.483014
H -0.418903 2.127603 -0.088400
H 0.449580 -0.837354 -0.100632
H 0.556006 0.241473 1.293504
H 1.973144 0.712036 -1.415839
H 2.081211 1.789504 -0.021274
H 2.960361 -1.176010 -0.032953
H 3.068201 -0.097954 1.361298
H 4.593105 1.449845 0.046324
H 4.485544 0.371464 -1.347682
H 5.580360 -0.436581 1.429857
H 5.472568 -1.515405 0.036143
H 7.106752 1.110239 0.113869
H 6.999031 0.032287 -1.279071
H -7.915083 -1.048384 -0.488455
H 7.986720 -1.854842 0.103557
H 8.094841 -0.775056 1.498253
H 9.661257 0.742192 0.200793
H 10.294931 -0.903150 0.308773
H 9.554068 -0.338305 -1.192076


%chk=000297706-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297706

0 1
O -7.190515 -0.732728 -0.836265
O -6.561075 -0.721230 1.396463
C -1.996479 0.585432 0.122660
C -2.418729 -0.801687 -0.427439
C -3.071469 1.641450 -0.242194
C -4.890644 -0.148670 -0.336211
C -3.828105 -1.218424 0.049987
C -4.483708 1.239927 0.237046
C -0.597733 1.025560 -0.377530
C 0.575399 0.149453 0.119092
C 1.957166 0.693506 -0.309019
C -6.250873 -0.552442 0.195028
C 3.137697 -0.168850 0.191389
C 4.519454 0.380832 -0.228980
C 5.700723 -0.477356 0.277483
C 7.082896 0.073373 -0.140175
C 8.263667 -0.785475 0.367717
C 9.640897 -0.227281 -0.051538
H -1.957237 0.512080 1.232873
H -2.397158 -0.767582 -1.537769
H -1.691244 -1.576161 -0.118396
H -2.798437 2.620396 0.199293
H -3.080256 1.781300 -1.344097
H -4.957006 -0.082924 -1.438089
H -3.835019 -1.339316 1.150938
H -4.102940 -2.197256 -0.388015
H -5.222354 2.005245 -0.069880
H -4.509320 1.184958 1.342950
H -0.598735 1.044415 -1.488537
H -0.419013 2.071854 -0.050444
H 0.463510 -0.886423 -0.260403
H 0.536629 0.082322 1.226921
H 1.996785 0.762826 -1.416490
H 2.075492 1.730295 0.070499
H 3.023356 -1.204708 -0.191741
H 3.094121 -0.241383 1.298466
H 4.631952 1.418061 0.151017
H 4.564934 0.449968 -1.336180
H 5.654092 -0.547178 1.384659
H 5.589378 -1.514458 -0.103296
H 7.196036 1.110232 0.240787
H 7.131689 0.143116 -1.247251
H -8.063802 -0.996799 -0.434408
H 8.150921 -1.820860 -0.014195
H 8.212796 -0.855647 1.473667
H 9.791368 0.794984 0.344539
H 10.466915 -0.859515 0.323318
H 9.728477 -0.174833 -1.153348


