%CPU=0,2,4,6,8,10,12,14,16,18,20,22,24,26,28,30 %mem=40GB %oldchk=Phrad_PhH_Habs_tsg1 %chk=Phrad_PhH_Habs_tsg1_qzvpd #p nosymm gfprint gfinput scf(maxcyc=200,xqc) m062x/genecp scrf(CPCM,solvent=benzene) sp temperature=403.15 guess=read geom=checkpoint empiricaldispersion=gd3 sp qz 0 2 H 0 S 4 1.00 190.6916900 0.70815167D-03 28.6055320 0.54678827D-02 6.5095943 0.27966605D-01 1.8412455 0.10764538 S 1 1.00 0.59853725 1.0000000 S 1 1.00 0.21397624 1.0000000 S 1 1.00 0.80316286D-01 1.0000000 P 1 1.00 2.29200000 1.0000000 P 1 1.00 0.83800000 1.0000000 P 1 1.00 0.29200000 1.0000000 P 1 1.00 0.84063199228D-01 1.0000000 D 1 1.00 2.06200000 1.0000000 D 1 1.00 0.66200000 1.0000000 F 1 1.00 1.39700000 1.0000000 **** C 0 S 8 1.00 67025.0710290 0.38736308501D-04 10039.9865380 0.30107917575D-03 2284.9316911 0.15787918095D-02 647.14122130 0.66087087195D-02 211.09472335 0.23367123250D-01 76.177643862 0.70420716898D-01 29.633839163 0.17360344953 12.187785081 0.32292305648 S 2 1.00 53.026006299 0.74897404492D-01 15.258502776 0.76136220983 S 1 1.00 5.2403957464 1.0000000 S 1 1.00 2.2905022379 1.0000000 S 1 1.00 0.69673283006 1.0000000 S 1 1.00 0.27599337363 1.0000000 S 1 1.00 0.10739884389 1.0000000 S 1 1.00 0.44981404899D-01 1.0000000 P 5 1.00 105.12555082 0.84647553844D-03 24.884461066 0.66274038534D-02 7.8637230826 0.30120390419D-01 2.8407001835 0.99951435476D-01 1.1227137335 0.23826299282 P 1 1.00 0.46050725555 1.0000000 P 1 1.00 0.18937530913 1.0000000 P 1 1.00 0.75983791611D-01 1.0000000 D 1 1.00 1.84800000 1.0000000 D 1 1.00 0.64900000 1.0000000 D 1 1.00 0.22800000 1.0000000 D 1 1.00 0.76889830417D-01 1.0000000 F 1 1.00 1.41900000 1.0000000 F 1 1.00 0.48500000 1.0000000 G 1 1.00 1.01100000 1.0000000 ****