0 1
Ir 0.91535200 -0.00899000 -0.01533600
P 1.12627400 2.31512700 0.20960700
P 0.93024100 -2.26831700 -0.62527900
N -2.07203300 1.06163000 -0.57956900
B -1.22602700 0.04426400 -0.01168200
N -2.10963000 -0.94707900 0.53872100
C -1.64639000 2.14886000 -1.43463400
H -2.41030600 2.35499200 -2.20119000
H -0.74318600 1.83850800 -1.98323800
C -1.35153800 3.45769100 -0.68541000
H -2.29410800 3.90526600 -0.32718400
H -0.91515700 4.17642300 -1.40145900
C -0.41665100 3.29589900 0.51971300
H -0.93426700 2.76075300 1.33094700
H -0.11850600 4.28461600 0.90640700
C -1.73580300 -2.14171900 1.25954200
H -2.48911800 -2.38369800 2.02646000
H -0.80366000 -1.95725100 1.81291800
C -1.54005500 -3.37520900 0.35803200
H -2.52116300 -3.75717300 0.02912500
H -1.07930100 -4.17830400 0.95985900
C -0.69693800 -3.11381100 -0.89747300
H -1.24530200 -2.45885200 -1.59167900
H -0.49572700 -4.06295700 -1.42176300
C 1.80451700 -2.54815100 -2.21599400
H 1.84255500 -3.62087700 -2.46139500
H 1.28182700 -1.99719500 -3.01024600
H 2.82267700 -2.15004200 -2.10814300
C 1.84044600 -3.36047500 0.54089000
H 1.83663800 -4.40481700 0.19223300
H 2.87309800 -2.98661200 0.59521900
H 1.38423000 -3.30390800 1.53925000
C 1.95083500 3.12930400 -1.21565200
H 1.38890600 2.92357000 -2.13621100
H 2.02894800 4.21608300 -1.05690200
H 2.95450700 2.68883500 -1.30081700
C 2.19925500 2.80032500 1.62257900
H 3.17481200 2.31414400 1.48229700
H 2.32741100 3.89310600 1.66134100
H 1.74782700 2.44969500 2.56198700
H 0.70229000 0.25847500 -1.62453600
C 1.05776400 -0.30718000 1.86676500
O 1.10897500 -0.47500200 3.01156500
H 2.57661557 -0.00858751 -0.42067928
C -3.49947300 -0.44041500 0.57108600
C -3.47986100 0.60177500 -0.61020400
C -4.54832300 -1.54094500 0.37740300
H -4.58543400 -2.20143900 1.25697200
H -5.55186700 -1.10134300 0.26252000
H -4.34061100 -2.16156300 -0.50370600
C -3.74166100 0.23896600 1.93379700
H -4.77871100 0.58961500 2.05018600
H -3.54199100 -0.48079100 2.74283500
H -3.06136100 1.09266400 2.06592900
C -3.75974600 -0.07556500 -1.96696600
H -4.81031000 -0.38749900 -2.06852600
H -3.54553800 0.62716500 -2.78643200
H -3.11498600 -0.95621900 -2.10041600
C -4.47860800 1.74703500 -0.41275400
H -4.48528400 2.41116200 -1.29065500
H -5.50205300 1.35602100 -0.29613100
H -4.23614000 2.35480100 0.46866400
C 4.26552241 -0.08338701 -0.33231538
O 4.46155554 -1.26496995 -0.35807134
O 4.65343038 1.03316562 -0.13659576
B P N C H O 0
cc-pVDZ
****
Ir 0
S 3 1.00
15.2937090 -1.6750339
13.5736820 2.3934648
5.8162740 -1.6504979
S 1 1.00
1.1955210 1.0000000
S 1 1.00
0.5657760 1.0000000
S 1 1.00
0.1405270 1.0000000
S 1 1.00
0.0508200 1.0000000
S 1 1.00
0.0150000 1.0000000
P 2 1.00
8.6697960 0.8677142
6.2456140 -1.8144826
P 2 1.00
1.9663840 0.2709454
1.0202060 0.7540443
P 1 1.00
0.4065800 1.0000000
P 1 1.00
0.0901160 1.0000000
P 1 1.00
0.0273640 1.0000000
D 4 1.00
3.6994850 -0.5973104
3.3617430 0.6112252
1.1745250 0.4732939
0.4701760 0.5755302
D 1 1.00
0.1576780 1.0000000
D 1 1.00
0.0500000 1.0000000
F 1 1.00 0.0000000
0.3950000 0.1000000
F 1 1.00 0.0000000
1.1890000 0.1000000
G 1 1.00 0.0000000
0.9820000 0.1000000
****