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	hartrees
Energy at 0K	-685.057166
Energy at 298.15K	-685.062500
HF Energy	-685.057166
Nuclear repulsion energy	88.507899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2426	2310	40.79
2	A	2419	2304	67.92
3	A	1158	1103	8.21
4	A	902	859	0.04
5	A	675	643	6.31
6	A	450	429	0.63
7	A	215	205	3.93
8	B	2435	2319	118.77
9	B	2405	2290	25.05
10	B	1145	1091	24.83
11	B	840	799	54.28
12	B	648	618	13.21

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	1.108	-0.085
P2	0.000	-1.108	-0.085
H3	-0.199	1.374	1.293
H4	1.408	1.243	-0.023
H5	0.199	-1.374	1.293
H6	-1.408	-1.243	-0.023

	P1	P2	H3	H4	H5	H6
P1		2.2160	1.4174	1.4155	2.8462	2.7412
P2	2.2160		2.8462	2.7412	1.4174	1.4155
H3	1.4174	2.8462		2.0811	2.7775	3.1701
H4	1.4155	2.7412	2.0811		3.1701	3.7564
H5	2.8462	1.4174	2.7775	3.1701		2.0811
H6	2.7412	1.4155	3.1701	3.7564	2.0811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	P2	H5	100.837	P1	P2	H6	95.489
P2	P1	H3	100.837	P2	P1	H4	95.489
H3	P1	H4	94.549	H5	P2	H6	94.549

All results from a given calculation for P₂H₄ (Diphosphine)

using model chemistry: wB97X-D/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	P	-0.017
2	P	-0.017
3	H	0.007
4	H	0.010
5	H	0.007
6	H	0.010

	x	y	z	Total
	0.000	0.000	1.439	1.439
CHELPG
AIM
ESP

	x	y	z
x	6.148	0.292	0.000
y	0.292	9.238	0.000
z	0.000	0.000	6.064

<r²>	70.049
(<r²>)^1/2	8.370

All results from a given calculation for P2H4 (Diphosphine)

using model chemistry: wB97X-D/6-31+G**

States and conformations

All results from a given calculation for P₂H₄ (Diphosphine)