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	hartrees
Energy at 0K	-458.550195
Energy at 298.15K	-458.560026
HF Energy	-458.550195
Nuclear repulsion energy	177.202326

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3130	3004	31.57
2	A₁	3043	2921	21.71
3	A₁	1550	1488	14.94
4	A₁	1406	1350	7.83
5	A₁	1031	990	56.12
6	A₁	671	644	0.05
7	A₁	309	296	0.10
8	A₂	3140	3014	0.00
9	A₂	1517	1456	0.00
10	A₂	834	801	0.00
11	A₂	184	176	0.00
12	E	3140	3014	11.29
12	E	3140	3014	11.29
13	E	3129	3003	2.64
13	E	3129	3003	2.64
14	E	3045	2923	13.02
14	E	3045	2923	13.03
15	E	1536	1474	17.19
15	E	1536	1474	17.19
16	E	1528	1466	6.85
16	E	1528	1466	6.85
17	E	1380	1325	17.07
17	E	1380	1325	17.07
18	E	1007	967	29.60
18	E	1007	967	29.60
19	E	885	849	2.28
19	E	885	849	2.28
20	E	727	698	11.66
20	E	727	698	11.66
21	E	259	249	0.06
21	E	259	249	0.06
22	E	211	202	0.07
22	E	211	202	0.07

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.613
C2	0.000	1.619	-0.283
C3	1.402	-0.810	-0.283
C4	-1.402	-0.810	-0.283
H5	0.000	1.488	-1.373
H6	-0.886	2.199	0.003
H7	0.886	2.199	0.003
H8	1.289	-0.744	-1.373
H9	2.347	-0.332	0.003
H10	1.461	-1.867	0.003
H11	-1.289	-0.744	-1.373
H12	-1.461	-1.867	0.003
H13	-2.347	-0.332	0.003

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8505	1.8505	1.8505	2.4819	2.4479	2.4479	2.4819	2.4479	2.4479	2.4819	2.4479	2.4479
C2	1.8505		2.8047	2.8047	1.0983	1.0969	1.0969	2.9047	3.0659	3.7909	2.9047	3.7909	3.0659
C3	1.8505	2.8047		2.8047	2.9047	3.7909	3.0659	1.0983	1.0969	1.0969	2.9047	3.0659	3.7909
C4	1.8505	2.8047	2.8047		2.9047	3.0659	3.7909	2.9047	3.7909	3.0659	1.0983	1.0969	1.0969
H5	2.4819	1.0983	2.9047	2.9047		1.7846	1.7846	2.5780	3.2740	3.9100	2.5780	3.9100	3.2740
H6	2.4479	1.0969	3.7909	3.0659	1.7846		1.7725	3.9100	4.1063	4.6949	3.2740	4.1063	2.9224
H7	2.4479	1.0969	3.0659	3.7909	1.7846	1.7725		3.2740	2.9224	4.1063	3.9100	4.6949	4.1063
H8	2.4819	2.9047	1.0983	2.9047	2.5780	3.9100	3.2740		1.7846	1.7846	2.5780	3.2740	3.9100
H9	2.4479	3.0659	1.0969	3.7909	3.2740	4.1063	2.9224	1.7846		1.7725	3.9100	4.1063	4.6949
H10	2.4479	3.7909	1.0969	3.0659	3.9100	4.6949	4.1063	1.7846	1.7725		3.2740	2.9224	4.1063
H11	2.4819	2.9047	2.9047	1.0983	2.5780	3.2740	3.9100	2.5780	3.9100	3.2740		1.7846	1.7846
H12	2.4479	3.7909	3.0659	1.0969	3.9100	4.1063	4.6949	3.2740	4.1063	2.9224	1.7846		1.7725
H13	2.4479	3.0659	3.7909	1.0969	3.2740	2.9224	4.1063	3.9100	4.6949	4.1063	1.7846	1.7725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.102	P1	C2	H6	109.646
P1	C2	H7	109.646	P1	C3	H8	112.102
P1	C3	H9	109.646	P1	C3	H10	109.646
P1	C4	H11	112.102	P1	C4	H12	109.646
P1	C4	H13	109.646	C2	P1	C3	98.547
C2	P1	C4	98.547	C3	P1	C4	98.547
H5	C2	H6	108.775	H5	C2	H7	108.775
H6	C2	H7	107.794	H8	C3	H9	108.775
H8	C3	H10	108.775	H9	C3	H10	107.794
H11	C4	H12	108.775	H11	C4	H13	108.775
H12	C4	H13	107.794

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

using model chemistry: HSEh1PBE/3-21G*

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	0.636
2	C	-0.871
3	C	-0.871
4	C	-0.871
5	H	0.213
6	H	0.223
7	H	0.223
8	H	0.213
9	H	0.223
10	H	0.223
11	H	0.213
12	H	0.223
13	H	0.223

	x	y	z
x	8.012	0.000	0.000
y	0.000	8.013	-0.000
z	0.000	-0.000	6.535

<r²>	121.900
(<r²>)^1/2	11.041

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

using model chemistry: HSEh1PBE/3-21G*

States and conformations

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