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CHARGE=-1 UHF PM7 Ir(III)Cl4N2(-) (IMIXOR) <Ir-N> <><N-Ir-N> <Ir-Cl><Cl-Ir-N> GR=CCDC Ir 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 N 2.04623400 +1 0.0000000 +0 0.0000000 +0 1 0 0 N 2.11474864 +1 82.6464090 +1 0.0000000 +0 1 2 0 Cl 2.37035700 +1 91.9251390 +1 179.6923909 +1 1 2 3 Cl 2.36326418 +1 84.9561498 +1 95.1456557 +1 1 2 4 C 1.53494139 +1 112.5558410 +1 -12.6342806 +1 2 1 3 C 1.52404371 +1 111.0856664 +1 -12.2900221 +1 3 1 2 H 1.04266141 +1 112.5277842 +1 120.8501446 +1 2 1 6 H 1.04229584 +1 113.1226579 +1 118.3226066 +1 2 1 8 H 1.10376520 +1 110.8854873 +1 156.7409267 +1 6 2 1 H 1.11360752 +1 108.5945085 +1 117.8317790 +1 6 2 10 H 1.11415923 +1 108.7362117 +1 -85.8776522 +1 7 3 1 H 1.10438656 +1 111.2500964 +1 -118.2981459 +1 7 3 12 H 1.03669475 +1 112.0508464 +1 -120.7879015 +1 3 1 7 H 1.03668823 +1 111.5767928 +1 -118.3942404 +1 3 1 14 Cl 2.32227872 +1 94.0811634 +1 -173.8004167 +1 1 5 2 Cl 2.36207658 +1 84.8163066 +1 -166.1758173 +1 1 2 8