7-Jul-2025 Gaussian 16 20-Dec-2017 EM64L-G16RevB.01 9 C1[X(BF2Xe2)] 0 0 0 0 0 311.3938064 AuxInfo=1/0/N:1,2,3;4,5/E:(2,3);(1,2)/CRV:1.2;/rA:5nB2FFXeXe/rB:s1;s1;;s4;/rC:;0,0,1.302;1.1603,0,-.6596;4.5718,-.0311,-.6916;3.1429,.0679,-3.4168; g16 /LUSTRE/software/intel/g16/l1.exe "/scratch/cerpa/F2Xe2B-T-SP-9736859.kukulcan/Gau-2852.inp" -scrdir="/scratch/cerpa/F2Xe2B-T-SP-9736859.kukulcan/" NprocShared=8 Mem=28GB # CCSD(T)/gen pseudo=read 1/38=1,172=1/1 2/12=2,17=6,18=5,40=1/2 3/5=7,11=9,16=1,17=8,25=1,30=1/1,2,3 4//1 5/5=2,38=5/2 8/6=4,9=120000,10=1/1,4 9/5=7,14=2/13 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Def2-TZVP 1 3 1 1.30199 1.30199 1 1.33465 2 119.6153 1.33465 119.6153 1 4.62396 3 21.01614 2 -D2314 0 4.62396 21.01614 -D2314 4 3.0787 1 70.92958 2 -D2145 0 3.0787 70.92958 -D2145 (5D, 7F) 1 5 No pseudopotential on this center. 2 9 No pseudopotential on this center. 3 9 No pseudopotential on this center. 4 54 26 F and up 2 2 2 2 20.8815570 20.7834430 5.2533890 5.3611880 -23.08929500 -30.07447500 -0.28822700 -0.38692400 0.00000000 0.00000000 0.00000000 0.00000000 S - F 2 2 2 2 2 2 2 40.0051840 17.8122140 9.3041500 20.8815570 20.7834430 5.2533890 5.3611880 49.99796200 281.01330300 61.53825500 23.08929500 30.07447500 0.28822700 0.38692400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 P - F 2 2 2 2 2 2 2 2 15.7017720 15.2586080 9.2921840 8.5590030 20.8815570 20.7834430 5.2533890 5.3611880 67.43914200 134.87471100 14.66330000 29.35473000 23.08929500 30.07447500 0.28822700 0.38692400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 D - F 2 2 2 2 2 2 2 2 2 2 15.1856000 14.2845000 7.1218890 6.9919630 0.6239460 0.6472840 20.8815570 20.7834430 5.2533890 5.3611880 35.43690800 53.19577200 9.04623200 13.22368100 0.08485300 0.04415500 23.08929500 30.07447500 0.28822700 0.38692400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 5 54 26 F and up 2 2 2 2 20.8815570 20.7834430 5.2533890 5.3611880 -23.08929500 -30.07447500 -0.28822700 -0.38692400 0.00000000 0.00000000 0.00000000 0.00000000 S - F 2 2 2 2 2 2 2 40.0051840 17.8122140 9.3041500 20.8815570 20.7834430 5.2533890 5.3611880 49.99796200 281.01330300 61.53825500 23.08929500 30.07447500 0.28822700 0.38692400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 P - F 2 2 2 2 2 2 2 2 15.7017720 15.2586080 9.2921840 8.5590030 20.8815570 20.7834430 5.2533890 5.3611880 67.43914200 134.87471100 14.66330000 29.35473000 23.08929500 30.07447500 0.28822700 0.38692400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 D - F 2 2 2 2 2 2 2 2 2 2 15.1856000 14.2845000 7.1218890 6.9919630 0.6239460 0.6472840 20.8815570 20.7834430 5.2533890 5.3611880 35.43690800 53.19577200 9.04623200 13.22368100 0.08485300 0.04415500 23.08929500 30.07447500 0.28822700 0.38692400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 5 5 5 1.00e+00 60 F 0.000000 1.301992 0.000000 1.334653 2.279022 0.000000 4.623957 4.987701 3.411827 0.000000 4.642936 5.670042 3.396720 3.078699 0.000000 BF2Xe2(1+,3) C1 1 C1 1 C1 1 0 0 0 0 0 311.3938064 AuxInfo=1/0/N:1,2,3;4,5/E:(2,3);(1,2)/CRV:1.2;/rA:5nB2FFXeXe/rB:s1;s1;;s4;/rC:-3.2321,-1.703,.0168;-4.2936,-.9499,-.0193;-2.0227,-1.1386,.0182;-.0219,1.6249,.0006;1.3739,-1.1192,-.0019; 0.8658924 0.6367188 0.3669237 20 -879.922390077 2.0201 0.5160486336e-01 0.2150421919e+00 0.4866508245e-01 -0.2778289246e+00 -0.1066178645e+01 -0.2612372674e+00 0.1146870585e+01 -0.1605244837e+01 -0.88152763491436e+03