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	hartrees
Energy at 0K	-421.077880
Energy at 298.15K	-421.085697
HF Energy	-420.548017
Nuclear repulsion energy	113.168089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	3027	10.01
2	A'	3190	3022	13.07
3	A'	3098	2934	9.72
4	A'	2448	2319	74.57
5	A'	1515	1435	10.59
6	A'	1514	1434	0.76
7	A'	1372	1300	0.90
8	A'	1040	985	31.77
9	A'	990	938	28.41
10	A'	738	699	1.46
11	A'	685	649	2.01
12	A'	263	249	0.14
13	A'	196	186	0.15
14	A"	3196	3027	3.20
15	A"	3191	3022	0.69
16	A"	3100	2936	9.98
17	A"	1507	1427	5.46
18	A"	1500	1421	2.41
19	A"	1356	1285	0.43
20	A"	1055	999	26.24
21	A"	851	806	1.04
22	A"	744	705	6.66
23	A"	726	688	7.46
24	A"	187	177	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.668	0.000
H2	1.350	-0.946	0.000
C3	-0.038	0.530	1.417
C4	-0.038	0.530	-1.417
H5	-1.024	0.993	1.488
H6	-1.024	0.993	-1.488
H7	0.145	-0.006	2.349
H8	0.145	-0.006	-2.349
H9	0.711	1.315	1.306
H10	0.711	1.315	-1.306

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4154	1.8552	1.8552	2.4380	2.4380	2.4476	2.4476	2.4900	2.4900
H2	1.4154		2.4722	2.4722	3.4072	3.4072	2.8029	2.8029	2.6887	2.6887
C3	1.8552	2.4722		2.8336	1.0917	3.1022	1.0911	3.8086	1.0910	2.9314
C4	1.8552	2.4722	2.8336		3.1022	1.0917	3.8086	1.0911	2.9314	1.0910
H5	2.4380	3.4072	1.0917	3.1022		2.9757	1.7624	4.1338	1.7740	3.3047
H6	2.4380	3.4072	3.1022	1.0917	2.9757		4.1338	1.7624	3.3047	1.7740
H7	2.4476	2.8029	1.0911	3.8086	1.7624	4.1338		4.6989	1.7766	3.9284
H8	2.4476	2.8029	3.8086	1.0911	4.1338	1.7624	4.6989		3.9284	1.7766
H9	2.4900	2.6887	1.0910	2.9314	1.7740	3.3047	1.7766	3.9284		2.6125
H10	2.4900	2.6887	2.9314	1.0910	3.3047	1.7740	3.9284	1.7766	2.6125

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.876	P1	C3	H7	109.606
P1	C3	H9	112.795	P1	C4	H6	108.876
P1	C4	H8	109.606	P1	C4	H10	112.795
H2	P1	C3	97.296	H2	P1	C4	97.296
C3	P1	C4	99.585	H5	C3	H7	107.684
H5	C3	H9	108.735	H6	C4	H8	107.684
H6	C4	H10	108.735	H7	C3	H9	109.012
H8	C4	H10	109.012

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)