%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Empenthrin_EZ CONF64 gas 0 1 O -1.1317383983 -1.2153257942 -0.3636352305 O -0.4043749684 -0.2013029273 1.4997957811 C 1.7358711650 0.9060161280 -0.5190214122 C 2.3326509165 -0.1543399575 0.3563324632 C 1.0526836096 -0.4459420776 -0.3801950489 C 1.1420190721 2.1370354369 0.1204711770 C 2.3765172563 1.1798822384 -1.8575021251 C 3.5744586532 -0.8817264356 -0.0132129922 C -0.2091047029 -0.5876564694 0.3778744332 C 4.8102725711 -0.4495610924 0.2402081049 C 5.0976192313 0.8505212352 0.9275176434 C 6.0156717512 -1.2540486219 -0.1412994178 C -2.4542592642 -1.3183443062 0.1850638604 C -3.2408266932 -0.0706369237 -0.1463240714 C -3.0513278045 -2.5220746463 -0.3831292914 C -3.5462002651 0.1420123771 -1.5970345306 C -3.5677906084 0.7520374287 0.8493905367 C -4.2762512690 2.0641403098 0.7559067861 C -3.5809813465 -3.5008015698 -0.8292239946 C -3.3256353328 3.2288906254 1.0311427113 H 2.1910851873 0.0138827992 1.4208650890 H 1.1245172455 -1.0834984419 -1.2552168681 H 0.3334609679 2.5439772807 -0.4907362435 H 0.7461077674 1.9504252172 1.1154148970 H 1.9075026944 2.9111483616 0.2052459906 H 2.7730493611 0.2790234753 -2.3235474593 H 1.6555590183 1.6260383946 -2.5448007099 H 3.2076176436 1.8791007870 -1.7452397200 H 3.4542227805 -1.8390228797 -0.5123448636 H 5.6151739806 0.6821195448 1.8753531373 H 5.7602807073 1.4719521154 0.3201456293 H 4.1983492584 1.4270508905 1.1356130524 H 6.6696204459 -0.6887396190 -0.8100758842 H 6.6139241630 -1.5073180566 0.7375463252 H 5.7469005330 -2.1837623401 -0.6412181567 H -2.3951340805 -1.4368784094 1.2706437275 H -4.0003248106 1.1111536335 -1.7884269689 H -2.6385386131 0.0789395752 -2.1993645474 H -4.2262665869 -0.6254453095 -1.9711235263 H -3.2484976891 0.4794691509 1.8516043483 H -5.0858024724 2.0811147981 1.4911366009 H -4.7501492984 2.1965355712 -0.2171635032 H -4.0402116923 -4.3739351651 -1.2257194083 H -3.8538547914 4.1823892425 1.0119521253 H -2.8507608252 3.1304669125 2.0078066120 H -2.5311681709 3.2664941385 0.2855472924 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Empenthrin_EZ CONF64 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 Empenthrin_EZ CONF64 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point Empenthrin_EZ CONF64 gas 0 1