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	hartrees
Energy at 0K	-421.590061
Energy at 298.15K	-421.597851
HF Energy	-421.412464
Nuclear repulsion energy	112.959112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3143	3143	16.78
2	A'	3139	3139	31.44
3	A'	3058	3058	22.71
4	A'	2375	2375	107.37
5	A'	1516	1516	7.21
6	A'	1513	1513	13.57
7	A'	1384	1384	1.71
8	A'	1042	1042	47.60
9	A'	997	997	40.97
10	A'	736	736	2.69
11	A'	669	669	2.61
12	A'	261	261	0.49
13	A'	195	195	0.23
14	A"	3143	3143	8.16
15	A"	3140	3140	0.48
16	A"	3060	3060	21.54
17	A"	1505	1505	12.35
18	A"	1500	1500	0.97
19	A"	1365	1365	4.02
20	A"	1052	1052	32.69
21	A"	859	859	0.64
22	A"	740	740	0.79
23	A"	715	715	15.37
24	A"	182	182	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.667	0.000
H2	1.358	-0.935	0.000
C3	-0.038	0.529	1.422
C4	-0.038	0.529	-1.422
H5	-1.026	0.982	1.511
H6	-1.026	0.982	-1.511
H7	0.158	-0.008	2.351
H8	0.158	-0.008	-2.351
H9	0.701	1.325	1.316
H10	0.701	1.325	-1.316

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4214	1.8580	1.8580	2.4453	2.4453	2.4497	2.4497	2.4996	2.4996
H2	1.4214		2.4722	2.4722	3.4120	3.4120	2.7975	2.7975	2.6965	2.6965
C3	1.8580	2.4722		2.8437	1.0912	3.1276	1.0910	3.8161	1.0912	2.9459
C4	1.8580	2.4722	2.8437		3.1276	1.0912	3.8161	1.0910	2.9459	1.0912
H5	2.4453	3.4120	1.0912	3.1276		3.0211	1.7580	4.1589	1.7715	3.3305
H6	2.4453	3.4120	3.1276	1.0912	3.0211		4.1589	1.7580	3.3305	1.7715
H7	2.4497	2.7975	1.0910	3.8161	1.7580	4.1589		4.7023	1.7725	3.9399
H8	2.4497	2.7975	3.8161	1.0910	4.1589	1.7580	4.7023		3.9399	1.7725
H9	2.4996	2.6965	1.0912	2.9459	1.7715	3.3305	1.7725	3.9399		2.6329
H10	2.4996	2.6965	2.9459	1.0912	3.3305	1.7715	3.9399	1.7725	2.6329

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.246	P1	C3	H7	109.581
P1	C3	H9	113.318	P1	C4	H6	109.246
P1	C4	H8	109.581	P1	C4	H10	113.318
H2	P1	C3	96.952	H2	P1	C4	96.952
C3	P1	C4	99.862	H5	C3	H7	107.343
H5	C3	H9	108.534	H6	C4	H8	107.343
H6	C4	H10	108.534	H7	C3	H9	108.642
H8	C4	H10	108.642

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B2PLYP=FULL/6-311G*

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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All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B2PLYP=FULL/6-311G*

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)