%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization oxaziclomefone CONF11 gas 0 1 Cl 5.1735137305 2.5475733441 1.5832144547 Cl 3.6537295268 -0.5501166776 -2.5257247469 O -0.9332266014 1.1456753835 -1.3079341788 O -1.9411738026 -1.4133583448 1.6050033562 N -0.4784158212 0.1263809423 0.7422298258 C 0.6378095590 -0.0781841522 1.6815153625 C 1.9173908214 0.3399439393 0.9531547955 C 0.8420908136 -1.5563422555 2.0512663544 C 0.3837022239 0.7235725201 2.9592074460 C -0.5828342985 1.3710957479 0.0361805906 C -1.6613066222 -0.5842635856 0.7677831468 C -2.5371750106 -0.3061057484 -0.3983193825 C -2.0594536699 0.4241590533 -1.4311620840 C 2.1743101250 -0.1956217586 -0.3081277008 C 2.8522820360 1.1876465999 1.5292633133 C -3.8532742938 -0.9719033594 -0.4665077764 C 4.0251696242 1.4873330827 0.8495002760 C 3.3485263425 0.1189477161 -0.9640898504 C -2.6429478335 0.5208966801 -2.7975927855 C 4.2936581743 0.9641633658 -0.4005600850 C -3.9833326816 -2.3556997647 -0.3570976865 C -5.0033853630 -0.2105615671 -0.6641920388 C -5.2272030807 -2.9562346765 -0.4621581540 C -6.2489484048 -0.8108829132 -0.7726706604 C -6.3639751290 -2.1881223025 -0.6721365852 H 0.0710715404 -1.9254744645 2.7188501488 H 0.8653591636 -2.1941426768 1.1682457330 H 1.8076575290 -1.6507586870 2.5490562920 H -0.5612258879 0.4030744567 3.3954883708 H 0.3241600178 1.7975769828 2.7717102442 H 1.1603959113 0.5534655082 3.7054261930 H -1.3509046666 2.0208533226 0.4807270610 H 0.3676385772 1.8976215912 0.0365702441 H 1.4537090338 -0.8486526247 -0.7814372482 H 2.6864446582 1.6239936595 2.5034251550 H -1.8551451806 0.3840584996 -3.5402974497 H -3.0769679614 1.5073275998 -2.9715099804 H -3.4126041899 -0.2271852486 -2.9611452983 H 5.2076282962 1.2060910550 -0.9232537162 H -3.1068984627 -2.9674218854 -0.1975846474 H -4.9193086946 0.8677120213 -0.7250685082 H -5.3097004861 -4.0321363531 -0.3801087723 H -7.1289997715 -0.2004239666 -0.9272372554 H -7.3336155345 -2.6615721957 -0.7529732065 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction oxaziclomefone CONF11 gas 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) Electronic spectrum oxaziclomefone CONF11 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point oxaziclomefone CONF11 gas 0 1