%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Bensultap CONF127 gas 0 1 S 1.3181652462 -2.0957161087 -1.5353380427 S 1.5207991776 2.2871057717 2.0220640130 S -0.7681866700 -2.2253029405 -1.5632810814 S -0.5437736730 2.6820411204 1.9306367794 O -1.0518191670 -2.9174353920 -2.8016281356 O -1.3481915361 -0.9240233416 -1.2769171044 O -0.6832173373 3.8893071799 2.7155100681 O -1.2699430975 1.4636268385 2.2447353269 N 2.5359727176 0.6928502328 -0.6729119560 C 1.5282327412 0.1197624335 0.1805363720 C 1.5946548134 -1.4097070329 0.1201465470 C 1.5762210406 0.5101744481 1.6634388597 C 3.8774088294 0.7397736234 -0.1575940598 C 2.1727276701 1.8658204449 -1.4315533042 C -1.1546280490 -3.2897144670 -0.1968039289 C -0.8434513367 3.0857719306 0.2301047777 C -0.9630855102 -4.6562865593 -0.3476958367 C -1.5010914312 2.1775917509 -0.5811666475 C -1.6402677378 -2.7460209636 0.9834094504 C -0.3999755997 4.3105761503 -0.2517364153 C -1.2606053997 -5.4924997505 0.7137415052 C -1.6936600602 2.4913733035 -1.9191869628 C -1.9307084677 -3.5974561734 2.0398566935 C -0.6048252296 4.6137303593 -1.5859260799 C -1.7405904096 -4.9639399304 1.9055584209 C -1.2456294725 3.7037165777 -2.4193760145 H 0.5563761234 0.4179893724 -0.2125220533 H 2.5910411721 -1.7643751762 0.3957757118 H 0.9072544176 -1.8826253288 0.8253533067 H 0.7687530297 0.0310948539 2.2189812552 H 2.5088369139 0.1791230210 2.1284754980 H 4.5770007636 0.9002857563 -0.9797680139 H 4.1573881369 -0.2080082711 0.3073723512 H 4.0558058680 1.5387301683 0.5783727160 H 2.2105566094 2.8021403667 -0.8615252780 H 1.1654758108 1.7554039918 -1.8314438697 H 2.8482914074 1.9663996647 -2.2840453664 H -0.5926340897 -5.0598397514 -1.2803384746 H -1.8511543194 1.2341835525 -0.1902495907 H -1.7977169124 -1.6797246580 1.0809320391 H 0.0973556338 5.0154215048 0.4011980939 H -1.1218972664 -6.5599315126 0.6099370609 H -2.1899813259 1.7779638499 -2.5623616503 H -2.3113408136 -3.1878507508 2.9653948519 H -0.2657886969 5.5634747073 -1.9772985484 H -1.9707794105 -5.6232493207 2.7317155441 H -1.3960644962 3.9452751407 -3.4633191672 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Bensultap CONF127 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 Bensultap CONF127 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point Bensultap CONF127 gas 0 1