Gaussian 16 4-Jul-2023 Gaussian 16 25-Dec-2016 ES64L-G16RevA.03 20 20 61 61 548 (5D, 7F) def2TZVPP 54 C1[X(C6H7Cl2MoNO3)] UB3PW91 def2TZVPP Stability #UB3PW91/Def2TZVPP Stable=Opt SCF=tight gfinput Integral(SuperFineGrid) #SCRF=(solvent=o-xylene) POP=None 300.9150999999999 0 1 AuxInfo=1/1/N:9,4,8,5,7,6,15,16;2;18;1;19;3/E:(2,3)(4,5);;;;;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7-1;;;;;/rA:20MoClO1C3C3C3C3C3C3HHHHHNOHClOH/rB:s1;s1;;s4;s5;s6;s7;s4s8;s4;s5;s7;s8;s9;s1s6;s15;s16;s1;s1;s19;/rC:;;;;;;;;;;;;;;;;;;;; g16 Output=9-s-TZ.log Chk=9-s-TZ.chk #UB3PW91/Def2TZVPP Stable=Opt SCF=tight gfinput Integral(SuperFineGrid 1/38=1,172=1/1 2/12=2,17=6,18=5,40=1/2 3/5=44,7=202,11=2,24=10,25=1,30=1,70=2201,72=158,74=-6,75=-7,116=2/1,2,3 4//1 5/5=2,32=2,38=5,53=158/2 8/6=1,10=90,11=11/1 9/8=-3,42=1,46=1/14 5/5=2,8=3,17=40,32=2,38=5,53=158/8(-2) 99/5=1,9=1/99 9-s-TZ 632 A 548 A 860 632 1115.0862410389 20 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 300.9150999999999 AuxInfo=1/1/N:9,4,8,5,7,6,15,16;2;18;1;19;3/E:(2,3)(4,5);;;;;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7-1;;;;;/rA:20MoClO1C3C3C3C3C3C3HHHHHNOHClOH/rB:s1;s1;;s4;s5;s6;s7;s4s8;s4;s5;s7;s8;s9;s1s6;s15;s16;s1;s1;s19;/rC:;;;;;;;;;;;;;;;;;;;; 0.000000 2.334066 0.000000 1.652572 3.256860 0.000000 4.834397 4.734329 4.398759 0.000000 3.462961 3.535870 3.232296 1.388940 0.000000 3.181855 3.748692 3.389817 2.422713 1.413314 0.000000 4.462583 5.066580 4.657383 2.803674 2.446859 1.415257 0.000000 5.585710 5.952013 5.520670 2.423187 2.801932 2.421734 1.387037 0.000000 5.745855 5.822405 5.420230 1.398406 2.420063 2.798377 2.421536 1.401098 0.000000 5.384710 5.038619 4.767982 1.092215 2.146383 3.410948 3.895863 3.414859 2.164385 0.000000 2.968085 2.781209 2.650667 2.152035 1.089342 2.176249 3.436121 3.890881 3.406462 2.469152 0.000000 4.759519 5.573433 5.163997 3.892679 3.429603 2.167839 1.089147 2.160967 3.414871 4.984881 4.331575 0.000000 6.555111 6.974842 6.522837 3.413401 3.894445 3.411772 2.146385 1.092526 2.164940 4.317894 4.983383 2.486277 0.000000 6.797017 6.775897 6.371959 2.163133 3.408084 3.890870 3.408966 2.165585 1.092497 2.494723 4.305561 4.316065 2.494319 0.000000 2.123645 3.163422 2.874446 3.680511 2.414859 1.383607 2.433925 3.690857 4.181745 4.558317 2.655331 2.668491 4.576018 5.274196 0.000000 2.969964 4.075920 3.962305 4.692273 3.574534 2.273862 2.657744 4.042306 4.885500 5.665826 3.953208 2.328403 4.692754 5.951389 1.328509 0.000000 2.676123 4.147228 3.819707 5.454981 4.235336 3.056249 3.590100 4.973585 5.764920 6.371493 4.422645 3.234914 5.628929 6.841855 1.828166 1.012925 0.000000 2.349879 3.351357 3.169500 7.039481 5.698003 5.523087 6.783393 7.933868 8.052582 7.430986 4.991707 6.974177 8.895056 9.082854 4.379863 4.898050 4.257397 0.000000 1.949590 3.940834 3.081690 6.027678 4.700329 3.854384 4.716526 6.038678 6.602425 6.790124 4.563382 4.565119 6.809121 7.684669 2.527286 2.439418 1.565771 2.931064 0.000000 2.543113 4.403354 3.671963 6.954470 5.609225 4.810629 5.671645 7.002903 7.565498 7.678788 5.381311 5.469073 7.758616 8.648141 3.466270 3.289241 2.331609 2.656349 0.969123 0.000000 C6H7Cl2MoNO3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 300.9150999999999 AuxInfo=1/1/N:9,4,8,5,7,6,15,16;2;18;1;19;3/E:(2,3)(4,5);;;;;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7-1;;;;;/rA:20MoClO1C3C3C3C3C3C3HHHHHNOHClOH/rB:s1;s1;;s4;s5;s6;s7;s4s8;s4;s5;s7;s8;s9;s1s6;s15;s16;s1;s1;s19;/rC:;;;;;;;;;;;;;;;;;;;; 1.0568817 0.2948422 0.2647397 20 -1502.05044409 -0.0000 7 -1502.05873678 0.7277 0.7277 PT107283.100S Tue Jul 4 05:39:18 2023 GINC-NODE8 SOFIA 2023-07-04T00:00:00.000 0 9-s-TZ 0 1 Version=ES64L-G16RevA.03 HF=-1502.0587368 S2=0.727701 S2-1=0. S2A=0.105049 RMSD=5.421e-10 PG=C01 [X(C6H7Cl2Mo1N1O3)] 0 -1.174931 0.03943 -0.229983 0 -0.955563 -1.638557 1.377531 0 -0.73413 -0.583598 -1.695768 0 3.391257 -1.526165 -0.495006 0 2.122763 -1.017455 -0.247436 0 1.973011 0.3378 0.124472 0 3.116857 1.160332 0.258669 0 4.374255 0.630431 0.009617 0 4.52008 -0.710191 -0.370573 0 3.500326 -2.574809 -0.780284 0 1.251487 -1.667869 -0.314567 0 2.992747 2.205049 0.540457 0 5.254936 1.269883 0.105094 0 5.514306 -1.118034 -0.567369 0 0.704633 0.846573 0.340654 0 0.695629 2.055955 0.890428 0 -0.235137 2.381976 0.659341 0 -3.514065 -0.185004 -0.226477 0 -1.51516 1.956796 -0.135896 0 -2.440388 2.240536 -0.084475