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 #uwb97xd/def2TZVPP Pop=NBORead 48.0428 0 2 AuxInfo=1/0/N:1;2;3;10;4;5;6;7;8;9;11;12;13/rA:13nC0C0C0H0H0H0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;/rC:-.0496,-.5151,0;.6883,.7854,0;1.7248,-.2582,0;-.1866,-1.0646,.9313;.5701,1.3874,.9077;.5701,1.3874,-.9077;-.1866,-1.0645,-.9313;2.2255,-.5298,.9312;2.2255,-.5298,-.9312;-2.0683,.0141,0;-2.1907,.5975,-.9186;-2.6084,-.9388,.0006;-2.1904,.5984,.9181; /u/local/apps/gaussian/16_sse4/g16 /u/local/apps/gaussian/16_sse4/l1.exe "/work/2940759.1.pod_smp.q/Gau-34547.inp" -scrdir="/work/2940759.1.pod_smp.q/" nproc=8 mem=16GB # uwb97xd/def2TZVPP Pop=NBORead 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=1,40=2/1,7 99/5=1,9=1/99 Title Card Required 279 A 250 A 357 279 121.8835715700 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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(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-N6675 HUILINGS 23-Apr-2024 0 Title Card Required 0 2 Version=ES64L-G16RevA.03 State=2-A HF=-157.7013502 S2=0.780264 S2-1=0. S2A=0.750185 RMSD=9.924e-09 Dipole=0.1552601,-0.0013289,-0.0000008 Quadrupole=-2.1774155,0.3429071,1.8345084,0.1884553,0.0000064,-0.0000003 PG=C01 [X(C4H9)] 0 -0.049564 -0.51508 0.000004 0 0.688332 0.785378 0.000001 0 1.724815 -0.258225 -0.000003 0 -0.186638 -1.064545 0.931311 0 0.570087 1.387382 0.907734 0 0.57008 1.387384 -0.90773 0 -0.18664 -1.064544 -0.931304 0 2.225514 -0.52981 0.931178 0 2.225503 -0.529816 -0.931187 0 -2.06831 0.014069 -0.000001 0 -2.190681 0.597504 -0.918625 0 -2.608428 -0.938837 0.000549 0 -2.19043 0.598424 0.918071