Gaussian 16 23-Apr-2024 Gaussian 16 25-Dec-2016 ES64L-G16RevA.03 14 14 19 20 281 (5D, 7F) def2TZVPP 36 C1[X(C5H9)] UwB97XD def2TZVPP SP 60.0535 0 2 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14/rA:14nC0C0C0C0C0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;/rC:-1.5271,0,-.2664;-.5602,-1.0978,.05;.4639,0,.4712;1.7985,0,-.251;-.5603,1.0978,.05;-2.564,0,-.609;-.2345,-1.7057,-.817;-.8598,-1.8071,.8434;.6266,0,1.5602;2.3928,.8903,.0082;1.6519,.0001,-1.3436;2.3927,-.8903,.0081;-.8599,1.807,.8434;-.2346,1.7057,-.817; /u/local/apps/gaussian/16_sse4/g16 /u/local/apps/gaussian/16_sse4/l1.exe "/work/2940766.1.pod_smp.q/Gau-32891.inp" -scrdir="/work/2940766.1.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 315 A 281 A 408 315 175.5358570084 14 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 60.0535 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2.871935 3.480953 2.514081 1.780591 1.780090 0.000000 2.223133 3.026104 2.270734 3.395529 1.105576 2.877333 3.935380 3.614123 2.447181 3.481049 3.789088 4.307286 0.000000 2.209804 2.952525 2.248736 2.713475 1.107850 2.894645 3.411391 3.935424 3.049908 2.872077 2.597189 3.784556 1.777134 0.000000 C5H9(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 60.0535 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14/rA:14nC0C0C0C0C0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;/rC:1.5271,0,-.2664;.5602,1.0978,.05;-.4639,0,.4712;-1.7984,0,-.251;.5603,-1.0978,.05;2.564,0,-.609;.2345,1.7057,-.817;.8598,1.8071,.8434;-.6266,0,1.5602;-2.3928,-.8903,.0082;-1.6519,0,-1.3436;-2.3927,.8903,.0081;.8599,-1.807,.8434;.2346,-1.7057,-.817; 9.2360467 4.5323556 3.5410147 14 -195.872578822 0.7555 1 2 3 4 5 6 7 8 9 10 11 12 13 14 C C C C C H H H H H H H H H 13 13 13 13 13 1 1 1 1 1 1 1 1 1 0.07672 -0.03176 0.00472 -0.00203 -0.03176 -0.01384 0.02423 0.02132 -0.00086 0.00002 0.00010 0.00002 0.02132 0.02423 86.24989 -35.69962 5.30280 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(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-N1970 HUILINGS 23-Apr-2024 0 #uwb97xd/def2TZVPP Title Card Required 0 2 Version=ES64L-G16RevA.03 State=2-A HF=-195.8725788 S2=0.755497 S2-1=0. 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