%chk=000221947.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221947

0 1
O 3.179655 -0.976222 0.340275
O 3.130161 1.183086 -0.561086
C 5.317096 0.184833 -0.034114
C 4.525559 -0.825616 0.834525
C 4.472692 1.481048 -0.128358
C 2.432404 0.250850 0.282422
C 1.146398 -0.090035 -0.463576
C -0.101546 0.226898 0.363638
C 5.532315 -0.395193 -1.435430
C 6.659405 0.496421 0.638619
C -1.380859 -0.124866 -0.408012
C -2.636016 0.190778 0.416518
C -3.915347 -0.160791 -0.354855
C -5.171475 0.154117 0.468710
C -6.450407 -0.197420 -0.302898
C -7.708052 0.116981 0.519559
C -8.984105 -0.230881 -0.243917
H 4.485611 -0.525566 1.894422
H 4.920620 -1.853241 0.753068
H 4.828626 2.160427 -0.922384
H 4.427229 2.021952 0.830998
H 2.329025 0.672757 1.298811
H 1.134136 0.465545 -1.427112
H 1.171388 -1.165602 -0.745985
H -0.111581 1.300820 0.635866
H -0.074050 -0.333822 1.318810
H -1.408525 0.432097 -1.364761
H -1.371106 -1.197269 -0.684048
H 4.556528 -0.611531 -1.900121
H 6.062473 0.301052 -2.091412
H 6.099843 -1.329769 -1.410651
H 7.276793 -0.404879 0.730380
H 6.535709 0.913004 1.643406
H 7.239567 1.218860 0.052596
H -2.608615 -0.366441 1.372807
H -2.645996 1.263006 0.692127
H -3.943318 0.396152 -1.311311
H -3.905772 -1.232867 -0.631146
H -5.181295 1.226155 0.744777
H -5.143815 -0.403088 1.424917
H -6.479549 0.358879 -1.259439
H -6.442087 -1.269116 -0.579824
H -7.681243 -0.440928 1.475988
H -7.718621 1.189578 0.795536
H -9.061066 0.334145 -1.179790
H -9.023159 -1.295596 -0.500618
H -9.875831 -0.003802 0.350776


%chk=000221947-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221947

0 1
O 3.580138 -1.427053 -0.192355
O 2.773244 0.847353 -0.094924
C 5.247349 0.445509 -0.085950
C 4.905750 -1.017140 0.313076
C 4.071305 1.328031 0.416442
C 2.539001 -0.536854 0.325852
C 1.198770 -0.994576 -0.233516
C 0.002426 -0.200539 0.334524
C 5.390939 0.563830 -1.621418
C 6.550053 0.879352 0.624705
C -1.350666 -0.686546 -0.230498
C -2.558630 0.105303 0.318188
C -3.915131 -0.388753 -0.233224
C -5.123813 0.409627 0.305273
C -6.481172 -0.093092 -0.236288
C -7.689763 0.709840 0.296953
C -9.041770 0.196303 -0.244250
H 4.923450 -1.118206 1.422949
H 5.620638 -1.732666 -0.126743
H 4.162539 2.365625 0.053646
H 4.050865 1.331120 1.530966
H 2.573983 -0.569517 1.445324
H 1.240118 -0.893431 -1.334307
H 1.091137 -2.072161 -0.005778
H 0.142619 0.873312 0.106820
H -0.011759 -0.290250 1.441441
H -1.334200 -0.608198 -1.337676
H -1.482456 -1.764285 0.002581
H 4.462201 0.243116 -2.121918
H 5.603472 1.608661 -1.916382
H 6.221069 -0.069606 -1.986850
H 7.400247 0.247433 0.306247
H 6.462512 0.802280 1.725825
H 6.802412 1.927409 0.376354
H -2.568277 0.038614 1.426514
H -2.432423 1.180642 0.073260
H -3.902766 -0.330649 -1.341884
H -4.043624 -1.462347 0.019334
H -4.999773 1.481729 0.044403
H -5.131365 0.359410 1.414503
H -6.473663 -0.047798 -1.345657
H -6.608728 -1.163735 0.029120
H -7.693772 0.667701 1.405513
H -7.563988 1.778573 0.027652
H -9.074208 0.255171 -1.348740
H -9.205631 -0.860785 0.038908
H -9.888862 0.787144 0.150688


