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	hartrees
Energy at 0K	-459.472829
Energy at 298.15K	-459.482355
HF Energy	-459.472829
Nuclear repulsion energy	177.654761

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3068	3010	23.58
2	A₁	2969	2913	29.33
3	A₁	1446	1419	14.62
4	A₁	1303	1279	8.05
5	A₁	955	937	45.67
6	A₁	662	650	0.00
7	A₁	279	274	0.14
8	A₂	3092	3034	0.00
9	A₂	1409	1383	0.00
10	A₂	760	746	0.00
11	A₂	175	172	0.00
12	E	3091	3033	6.23
12	E	3091	3033	6.24
13	E	3069	3012	1.43
13	E	3069	3012	1.43
14	E	2974	2919	8.50
14	E	2974	2919	8.50
15	E	1430	1403	15.64
15	E	1430	1403	15.64
16	E	1421	1394	7.14
16	E	1421	1394	7.14
17	E	1274	1251	13.72
17	E	1274	1251	13.72
18	E	937	919	27.27
18	E	937	919	27.27
19	E	812	796	1.31
19	E	812	796	1.30
20	E	720	706	9.45
20	E	720	706	9.46
21	E	241	236	0.07
21	E	241	236	0.07
22	E	203	199	0.09
22	E	203	199	0.09

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.612
C2	0.000	1.609	-0.281
C3	1.394	-0.805	-0.281
C4	-1.394	-0.805	-0.281
H5	0.000	1.476	-1.380
H6	-0.889	2.196	0.004
H7	0.889	2.196	0.004
H8	1.278	-0.738	-1.380
H9	2.347	-0.328	0.004
H10	1.457	-1.868	0.004
H11	-1.278	-0.738	-1.380
H12	-1.457	-1.868	0.004
H13	-2.347	-0.328	0.004

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8409	1.8409	1.8409	2.4793	2.4465	2.4465	2.4793	2.4465	2.4465	2.4793	2.4465	2.4465
C2	1.8409		2.7875	2.7875	1.1065	1.1031	1.1031	2.8897	3.0564	3.7815	2.8897	3.7815	3.0564
C3	1.8409	2.7875		2.7875	2.8897	3.7815	3.0564	1.1065	1.1031	1.1031	2.8897	3.0564	3.7815
C4	1.8409	2.7875	2.7875		2.8897	3.0564	3.7815	2.8897	3.7815	3.0564	1.1065	1.1031	1.1031
H5	2.4793	1.1065	2.8897	2.8897		1.7955	1.7955	2.5565	3.2673	3.9016	2.5565	3.9016	3.2673
H6	2.4465	1.1031	3.7815	3.0564	1.7955		1.7789	3.9016	4.1042	4.6935	3.2673	4.1042	2.9147
H7	2.4465	1.1031	3.0564	3.7815	1.7955	1.7789		3.2673	2.9147	4.1042	3.9016	4.6935	4.1042
H8	2.4793	2.8897	1.1065	2.8897	2.5565	3.9016	3.2673		1.7955	1.7955	2.5565	3.2673	3.9016
H9	2.4465	3.0564	1.1031	3.7815	3.2673	4.1042	2.9147	1.7955		1.7789	3.9016	4.1042	4.6935
H10	2.4465	3.7815	1.1031	3.0564	3.9016	4.6935	4.1042	1.7955	1.7789		3.2673	2.9147	4.1042
H11	2.4793	2.8897	2.8897	1.1065	2.5565	3.2673	3.9016	2.5565	3.9016	3.2673		1.7955	1.7955
H12	2.4465	3.7815	3.0564	1.1031	3.9016	4.1042	4.6935	3.2673	4.1042	2.9147	1.7955		1.7789
H13	2.4465	3.0564	3.7815	1.1031	3.2673	2.9147	4.1042	3.9016	4.6935	4.1042	1.7955	1.7789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.122	P1	C2	H6	109.862
P1	C2	H7	109.862	P1	C3	H8	112.122
P1	C3	H9	109.862	P1	C3	H10	109.862
P1	C4	H11	112.122	P1	C4	H12	109.862
P1	C4	H13	109.862	C2	P1	C3	98.421
C2	P1	C4	98.421	C3	P1	C4	98.421
H5	C2	H6	108.699	H5	C2	H7	108.699
H6	C2	H7	107.473	H8	C3	H9	108.699
H8	C3	H10	108.699	H9	C3	H10	107.473
H11	C4	H12	108.699	H11	C4	H13	108.699
H12	C4	H13	107.473

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

using model chemistry: LSDA/6-31G*

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	0.326
2	C	-0.685
3	C	-0.685
4	C	-0.685
5	H	0.181
6	H	0.198
7	H	0.198
8	H	0.181
9	H	0.198
10	H	0.198
11	H	0.181
12	H	0.198
13	H	0.198

	x	y	z
x	8.680	0.000	0.000
y	0.000	8.680	0.001
z	0.000	0.001	7.360

<r²>	121.053
(<r²>)^1/2	11.002

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

using model chemistry: LSDA/6-31G*

States and conformations

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