%mem=10000mb
%nprocshared=12
#p opt freq b3lyp/genecp 5d 7f empiricaldispersion=gd3
scf=(xqc,maxcyc=1000,conver=8,nosym)

triaznme2-zrcl5

-1 1
 Zr                -0.00000800    0.00106300   -0.00046600
 Cl                 1.43113190    1.81376844   -0.78757279
 Cl                -0.44683042   -0.64879828   -2.30949842
 Cl                 0.44681579    0.65091372    2.30856884
 Cl                 1.92503344   -1.49740075    0.04874214
 Cl                -1.92504609    1.49953112   -0.04968354
 C                 -1.30211616   -1.64819527    0.71567751
 N                 -2.24774758   -1.63091661    1.67260607
 N                 -1.35504600   -2.95037109    0.30071395
 C                 -2.64786939   -0.50098521    2.48044592
 N                 -2.87624585   -2.82115583    1.87608711
 C                 -2.30790505   -3.60885474    1.02155680
 C                 -0.53308448   -3.53951622   -0.73693299
 H                 -2.04080854    0.35120818    2.18827869
 H                 -3.70259509   -0.28435658    2.31139456
 H                 -2.48924305   -0.72983362    3.53414219
 H                 -2.55184370   -4.65077709    0.89217814
 H                  0.16264267   -2.79979757   -1.12968891
 H                  0.02767228   -4.36939310   -0.30886200
 H                 -1.15916913   -3.90858494   -1.54770541

-H -C -N -O -P -B -S -Al -Cl -F -He -Si 0
6-31+g*
****
-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb -Xe -Sn -In -Y -Ga -Hg 0
sdd
*******************

-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb -Xe -Sn -In -Y -Ga -Hg 0
sdd



