Gaussian 16 23-Apr-2024 Gaussian 16 25-Dec-2016 ES64L-G16RevA.03 13 13 16 17 250 (5D, 7F) def2TZVPP 33 C1[X(C4H9)] UwB97XD def2TZVPP SP 48.0428 0 2 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13/rA:13nC0C0C0C0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;/rC:-1.5833,-.5968,-.1254;-.7659,.5813,.2749;.6448,.6008,-.3232;1.5257,-.5464,.1605;-1.4465,-1.0586,-1.1082;-2.4402,-.9179,.4714;-.7034,.6378,1.377;-1.2893,1.5138,-.0263;.5664,.5696,-1.4241;1.1244,1.5632,-.0804;1.0825,-1.5226,-.0912;1.6512,-.5141,1.2547;2.5272,-.504,-.2933; /u/local/apps/gaussian/16_sse4/g16 /u/local/apps/gaussian/16_sse4/l1.exe "/work/2940760.1.pod_smp.q/Gau-167401.inp" -scrdir="/work/2940760.1.pod_smp.q/" nproc=8 mem=16GB # uwb97xd/def2TZVPP 1/38=1,172=1/1 2/12=2,17=6,18=5,40=1/2 3/5=44,7=202,11=2,25=1,30=1,74=-58,116=2/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Title Card Required 279 A 250 A 357 279 124.4370191120 13 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 48.0428 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5.60341 5.62738 5.66139 5.68842 5.76449 5.79087 5.79657 5.81140 5.98090 23.17442 23.39903 23.48999 23.68800 2-A. 0.5995 0.7515 0.2755 -0.5142 0.0979 0.852 -0.6133 0.6525 -0.4451 -0.5683 -0.5611 1.1293 -76.255 -75.29 151.545 -27.21 -26.865 54.075 -25.436 -25.114 50.55 1 C 13 -0.5692 0.202 0.797 0.822 0.1196 0.5568 0.0171 0.9721 -0.2341 -0.0171 0.0023 0.0148 -2.29 0.307 1.983 -0.817 0.11 0.708 -0.764 0.102 0.662 2 C 13 0.447 -0.4727 0.7595 -0.0271 0.8415 0.5396 0.8941 0.2618 -0.3633 -0.0139 -0.0093 0.0232 -1.863 -1.246 3.109 -0.665 -0.445 1.109 -0.621 -0.416 1.037 3 C 13 -0.0078 -0.1832 0.983 0.7322 -0.6705 -0.1192 0.681 0.7189 0.1394 -0.01 0.0 0.0099 -1.34 0.006 1.334 -0.478 0.002 0.476 -0.447 0.002 0.445 4 C 13 0.7727 0.6121 -0.1681 -0.622 0.6774 -0.3928 -0.1265 0.4081 0.9041 -0.0744 0.0013 0.0731 -39.685 0.701 38.984 -14.161 0.25 13.91 -13.238 0.234 13.004 5 H 1 0.2362 0.6864 0.6878 -0.5582 0.6753 -0.4822 0.7954 0.27 -0.5426 -0.0744 0.0011 0.0733 -39.682 0.573 39.11 -14.16 0.204 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-28.1650 -27.2357 0.2430 -0.4680 0.4988 -0.2535 -0.3379 0.5914 0.2430 -0.4680 0.4988 1.5662 2.4435 0.2906 -0.1557 -0.0946 1.3898 0.1057 -0.1975 -0.7670 0.1828 -318.6738 -122.8679 -66.5475 3.9210 -8.7537 -0.9447 1.4711 0.3424 1.2836 -73.4152 -64.9253 -32.6306 -0.6746 0.8165 0.7804 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-N6412 HUILINGS 23-Apr-2024 0 #uwb97xd/def2TZVPP Title Card Required 0 2 Version=ES64L-G16RevA.03 State=2-A HF=-157.7937178 S2=0.754716 S2-1=0. S2A=0.750016 RMSD=4.991e-09 Dipole=0.0289632,0.132912,0.0019102 Quadrupole=-0.1884616,-0.2512331,0.4396946,0.1806531,-0.3479585,0.3708127 PG=C01 [X(C4H9)] 0 -1.583317 -0.596776 -0.125423 0 -0.765935 0.58127 0.274877 0 0.644764 0.60076 -0.323212 0 1.525753 -0.54644 0.160485 0 -1.446452 -1.058573 -1.108194 0 -2.440193 -0.917921 0.471381 0 -0.703359 0.637749 1.376999 0 -1.2893 1.513781 -0.026295 0 0.56643 0.569639 -1.424066 0 1.124372 1.563164 -0.080405 0 1.082457 -1.522627 -0.091177 0 1.651237 -0.514144 1.254656 0 2.527223 -0.503952 -0.293261