%chk=000229796.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229796

0 1
O -1.484797 -0.829874 0.417379
O -1.846834 0.318904 -1.495910
C 0.894541 -1.226114 0.529197
C 1.240917 0.269827 0.320214
C -0.402427 -1.614606 -0.208510
C 2.013539 -2.182405 0.074150
C 2.450218 0.676566 1.187547
C 1.489343 0.631637 -1.156536
C -0.812600 -3.070601 0.030016
C 1.634687 -3.648209 0.323688
C 2.761605 2.171560 1.032230
C 1.812329 2.123756 -1.313723
C 0.321935 -4.015421 -0.381851
C 3.003156 2.538466 -0.438704
C -2.133058 0.116837 -0.337857
C -3.189239 0.765691 0.511576
C -3.376213 2.238620 0.126432
C -4.516510 2.879251 0.909714
H 0.720936 -1.376873 1.624834
H 0.354346 0.858752 0.671106
H -0.359103 -1.363395 -1.292012
H 2.950702 -1.938992 0.610189
H 2.232006 -2.025625 -1.000084
H 3.338031 0.081222 0.900922
H 2.251540 0.442843 2.249218
H 0.589040 0.385417 -1.758686
H 2.316388 0.023624 -1.565845
H -1.736185 -3.299887 -0.533393
H -1.070854 -3.214273 1.098004
H 1.539367 -3.831842 1.411330
H 2.448164 -4.310533 -0.027105
H 3.648148 2.435275 1.637847
H 1.924588 2.773279 1.435005
H 0.922978 2.727379 -1.048707
H 2.026326 2.349012 -2.375063
H 0.462029 -3.978801 -1.479916
H 0.043367 -5.059489 -0.145060
H 3.181755 3.625159 -0.533245
H 3.923454 2.042264 -0.801264
H -4.140681 0.204874 0.383724
H -2.934551 0.667330 1.588948
H -2.433485 2.794807 0.302913
H -3.568865 2.315305 -0.965046
H -4.635393 3.934954 0.636442
H -5.474600 2.383809 0.713564
H -4.341240 2.840522 1.991125


%chk=000229796-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229796

0 1
O -1.446184 -0.744386 0.558267
O -1.990816 0.273472 -1.477287
C 0.980117 -1.262702 0.492126
C 1.361226 0.239594 0.317618
C -0.407000 -1.614832 -0.097676
C 2.022971 -2.256637 -0.097356
C 2.577500 0.629742 1.200227
C 1.609042 0.677146 -1.151677
C -0.815141 -3.070404 0.184168
C 1.646778 -3.728735 0.189948
C 2.879762 2.145417 1.118124
C 1.904839 2.194623 -1.239277
C 0.242211 -4.057582 -0.367056
C 3.103459 2.593066 -0.346141
C -2.176047 0.136475 -0.244171
C -3.218890 0.870488 0.585056
C -3.611799 2.238364 -0.014935
C -4.762444 2.903152 0.768339
H 0.918601 -1.456525 1.586865
H 0.496467 0.829473 0.693101
H -0.434145 -1.405272 -1.183937
H 3.022803 -2.033281 0.319557
H 2.095482 -2.112893 -1.194460
H 3.476552 0.069546 0.868846
H 2.386490 0.336338 2.252609
H 0.731562 0.437198 -1.781914
H 2.475637 0.120799 -1.564634
H -1.806426 -3.269797 -0.264671
H -0.916652 -3.203837 1.279417
H 1.657248 -3.905025 1.285403
H 2.401567 -4.407199 -0.252492
H 3.766424 2.391554 1.734936
H 2.024964 2.711036 1.544421
H 1.004791 2.757831 -0.915396
H 2.098146 2.482262 -2.291119
H 0.264329 -3.996449 -1.474604
H -0.047403 -5.094316 -0.110325
H 3.269780 3.687251 -0.391434
H 4.024400 2.111678 -0.737061
H -4.115788 0.218898 0.639822
H -2.847751 0.970056 1.620773
H -2.726156 2.902976 -0.020926
H -3.897327 2.096113 -1.073150
H -5.024971 3.883669 0.331610
H -5.671947 2.273003 0.752029
H -4.487460 3.068651 1.827231


