%chk=000254343.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254343

0 1
O -0.834831 -0.294258 1.111129
O 1.491181 2.412200 0.861000
O 1.610032 -2.388241 -0.435139
O -0.222312 0.679228 -2.394795
O 5.444746 0.153031 0.579186
O -2.930258 0.591547 -2.346819
C 1.272530 0.026087 0.128776
C -0.161339 0.047094 -0.076617
C -2.972527 -0.028341 -0.052227
C 1.989153 1.181874 0.557425
C 2.045115 -1.149297 -0.073391
C -2.216452 -0.320708 1.091527
C -0.834715 0.342573 -1.218815
C -2.327378 0.334210 -1.332624
C 3.383975 1.192969 0.686734
C 3.445915 -1.166420 0.048455
C 4.096373 0.013114 0.423430
C -4.379586 -0.089118 0.050967
C -2.808459 -0.668364 2.322491
C -4.981461 -0.429570 1.254574
C -4.194022 -0.718418 2.388027
C 0.069638 2.673865 0.938427
C 0.203672 -2.716173 -0.537234
C 6.287100 -1.005925 0.341555
H 3.902191 2.098255 0.997147
H 3.974551 -2.094587 -0.140183
H -4.976731 0.138245 -0.838566
H -2.178619 -0.886388 3.182734
H -6.066722 -0.475403 1.330693
H -4.683617 -0.984206 3.327162
H 0.772330 0.689450 -2.286161
H -0.359789 2.687473 -0.067833
H 0.061679 3.681105 1.378937
H -0.424631 1.955039 1.600499
H -0.324913 -2.456621 0.386333
H -0.226261 -2.233797 -1.420324
H 0.246624 -3.806370 -0.670394
H 6.191942 -1.335487 -0.697195
H 6.040761 -1.803145 1.048966
H 7.286916 -0.596424 0.537844


%chk=000254343-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254343

0 1
O -0.955806 -0.301228 1.137831
O 1.417554 2.463104 0.775067
O 1.600346 -2.427238 -0.392018
O 0.017003 0.645033 -2.333123
O 5.547287 0.261212 0.243025
O -2.760153 0.620802 -2.541540
C 1.294679 0.006151 0.211948
C -0.173371 0.017663 0.003636
C -2.998190 0.008234 -0.207219
C 2.011801 1.218678 0.528098
C 2.089243 -1.161751 -0.044813
C -2.354908 -0.300494 1.020921
C -0.749648 0.329087 -1.216922
C -2.217411 0.345430 -1.426598
C 3.417493 1.266726 0.526298
C 3.503337 -1.115938 -0.046405
C 4.159669 0.103658 0.223979
C -4.420160 -0.013751 -0.244111
C -3.085337 -0.624048 2.187485
C -5.160503 -0.332417 0.904211
C -4.489482 -0.638176 2.122627
C 0.116715 2.582333 1.458882
C 0.274513 -2.905294 0.038012
C 6.372112 -0.913723 -0.059908
H 3.925368 2.203646 0.762495
H 4.035017 -2.045882 -0.256554
H -4.901897 0.226426 -1.197730
H -2.546964 -0.854666 3.111570
H -6.254445 -0.346792 0.867374
H -5.068758 -0.886306 3.018387
H 0.982919 0.620959 -2.092935
H -0.716343 2.527781 0.737298
H 0.137389 3.581944 1.920142
H -0.002999 1.806707 2.235059
H 0.059520 -2.608055 1.078947
H -0.520268 -2.536910 -0.632717
H 0.341166 -4.001469 -0.039072
H 6.161419 -1.299680 -1.075511
H 6.214030 -1.717001 0.684991
H 7.409865 -0.554657 -0.005404


