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	hartrees
Energy at 0K	-421.002451
Energy at 298.15K	-421.010243
HF Energy	-420.539484
Nuclear repulsion energy	113.021986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3206	3021	15.84
2	A'	3201	3016	30.20
3	A'	3108	2929	20.44
4	A'	2459	2317	113.72
5	A'	1520	1432	5.18
6	A'	1512	1425	11.51
7	A'	1404	1323	1.40
8	A'	1049	989	31.79
9	A'	1002	945	30.48
10	A'	739	697	4.62
11	A'	688	648	3.79
12	A'	264	248	0.70
13	A'	189	179	0.04
14	A"	3206	3021	8.98
15	A"	3202	3017	0.18
16	A"	3110	2930	22.13
17	A"	1512	1425	7.79
18	A"	1502	1416	2.15
19	A"	1387	1307	1.93
20	A"	1055	994	31.18
21	A"	868	818	0.14
22	A"	743	701	8.91
23	A"	729	687	7.49
24	A"	170	160	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.668	0.000
H2	1.347	-0.947	0.000
C3	-0.038	0.530	1.421
C4	-0.038	0.530	-1.421
H5	-1.022	0.992	1.499
H6	-1.022	0.992	-1.499
H7	0.151	-0.003	2.353
H8	0.151	-0.003	-2.353
H9	0.709	1.317	1.311
H10	0.709	1.317	-1.311

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4124	1.8587	1.8587	2.4441	2.4441	2.4520	2.4520	2.4938	2.4938
H2	1.4124		2.4735	2.4735	3.4090	3.4090	2.8029	2.8029	2.6934	2.6934
C3	1.8587	2.4735		2.8415	1.0904	3.1156	1.0900	3.8154	1.0903	2.9395
C4	1.8587	2.4735	2.8415		3.1156	1.0904	3.8154	1.0900	2.9395	1.0903
H5	2.4441	3.4090	1.0904	3.1156		2.9977	1.7595	4.1473	1.7713	3.3165
H6	2.4441	3.4090	3.1156	1.0904	2.9977		4.1473	1.7595	3.3165	1.7713
H7	2.4520	2.8029	1.0900	3.8154	1.7595	4.1473		4.7050	1.7717	3.9342
H8	2.4520	2.8029	3.8154	1.0900	4.1473	1.7595	4.7050		3.9342	1.7717
H9	2.4938	2.6934	1.0903	2.9395	1.7713	3.3165	1.7717	3.9342		2.6225
H10	2.4938	2.6934	2.9395	1.0903	3.3165	1.7713	3.9342	1.7717	2.6225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.152	P1	C3	H7	109.751
P1	C3	H9	112.873	P1	C4	H6	109.152
P1	C4	H8	109.751	P1	C4	H10	112.873
H2	P1	C3	97.318	H2	P1	C4	97.318
C3	P1	C4	99.702	H5	C3	H7	107.593
H5	C3	H9	108.632	H6	C4	H8	107.593
H6	C4	H10	108.632	H7	C3	H9	108.698
H8	C4	H10	108.698

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: CCD/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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All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: CCD/6-31+G**

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)