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	hartrees
Energy at 0K	-125.443112
Energy at 298.15K
HF Energy	-125.115669
Nuclear repulsion energy	103.765073

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3129	3013	59.81
2	A₁	3015	2904	28.41
3	A₁	1514	1459	15.66
4	A₁	1417	1365	6.93
5	A₁	1029	991	41.10
6	A₁	624	601	0.53
7	A₁	287	276	0.28
8	A₂	3140	3024	0.00
9	A₂	1493	1438	0.00
10	A₂	843	812	0.00
11	A₂	21i	20i	0.00
12	E	3141	3025	24.46
12	E	3141	3025	24.46
13	E	3128	3012	7.95
13	E	3128	3012	7.95
14	E	3017	2906	34.86
14	E	3017	2906	34.86
15	E	1510	1455	10.99
15	E	1510	1455	10.99
16	E	1496	1441	7.93
16	E	1496	1441	7.93
17	E	1387	1336	8.08
17	E	1387	1336	8.08
18	E	1013	975	23.89
18	E	1013	975	23.89
19	E	904	871	0.82
19	E	904	871	0.82
20	E	685	660	10.23
20	E	685	660	10.23
21	E	244	235	0.13
21	E	244	235	0.13
22	E	165	159	0.05
22	E	165	159	0.05

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.637
C2	0.000	1.675	-0.295
C3	1.451	-0.838	-0.295
C4	-1.451	-0.838	-0.295
H5	0.000	1.532	-1.392
H6	-0.894	2.256	-0.009
H7	0.894	2.256	-0.009
H8	1.327	-0.766	-1.392
H9	2.401	-0.354	-0.009
H10	1.507	-1.903	-0.009
H11	-1.327	-0.766	-1.392
H12	-1.507	-1.903	-0.009
H13	-2.401	-0.354	-0.009

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.9168	1.9168	1.9168	2.5423	2.5113	2.5113	2.5423	2.5113	2.5113	2.5423	2.5113	2.5113
C2	1.9168		2.9013	2.9013	1.1061	1.1042	1.1042	2.9871	3.1563	3.8925	2.9871	3.8925	3.1563
C3	1.9168	2.9013		2.9013	2.9871	3.8925	3.1563	1.1061	1.1042	1.1042	2.9871	3.1563	3.8925
C4	1.9168	2.9013	2.9013		2.9871	3.1563	3.8925	2.9871	3.8925	3.1563	1.1061	1.1042	1.1042
H5	2.5423	1.1061	2.9871	2.9871		1.7991	1.7991	2.6538	3.3517	3.9975	2.6538	3.9975	3.3517
H6	2.5113	1.1042	3.8925	3.1563	1.7991		1.7885	3.9975	4.2035	4.8020	3.3517	4.2035	3.0135
H7	2.5113	1.1042	3.1563	3.8925	1.7991	1.7885		3.3517	3.0135	4.2035	3.9975	4.8020	4.2035
H8	2.5423	2.9871	1.1061	2.9871	2.6538	3.9975	3.3517		1.7991	1.7991	2.6538	3.3517	3.9975
H9	2.5113	3.1563	1.1042	3.8925	3.3517	4.2035	3.0135	1.7991		1.7885	3.9975	4.2035	4.8020
H10	2.5113	3.8925	1.1042	3.1563	3.9975	4.8020	4.2035	1.7991	1.7885		3.3517	3.0135	4.2035
H11	2.5423	2.9871	2.9871	1.1061	2.6538	3.3517	3.9975	2.6538	3.9975	3.3517		1.7991	1.7991
H12	2.5113	3.8925	3.1563	1.1042	3.9975	4.2035	4.8020	3.3517	4.2035	3.0135	1.7991		1.7885
H13	2.5113	3.1563	3.8925	1.1042	3.3517	3.0135	4.2035	3.9975	4.8020	4.2035	1.7991	1.7885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.666	P1	C2	H6	109.499
P1	C2	H7	109.499	P1	C3	H8	111.666
P1	C3	H9	109.499	P1	C3	H10	109.499
P1	C4	H11	111.666	P1	C4	H12	109.499
P1	C4	H13	109.499	C2	P1	C3	98.364
C2	P1	C4	98.364	C3	P1	C4	98.364
H5	C2	H6	108.971	H5	C2	H7	108.971
H6	C2	H7	108.163	H8	C3	H9	108.971
H8	C3	H10	108.971	H9	C3	H10	108.163
H11	C4	H12	108.971	H11	C4	H13	108.971
H12	C4	H13	108.163

All results from a given calculation for P(CH₃)₃ (trimethylphosphine)

using model chemistry: MP2/LANL2DZ

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 P(CH3)3 (trimethylphosphine)

using model chemistry: MP2/LANL2DZ

States and conformations

All results from a given calculation for P(CH₃)₃ (trimethylphosphine)