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	hartrees
Energy at 0K	-460.202426
Energy at 298.15K	-460.212171
HF Energy	-459.582044
Nuclear repulsion energy	176.767238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3186	2999	45.58
2	A₁	3095	2913	22.60
3	A₁	1537	1447	5.85
4	A₁	1410	1328	1.93
5	A₁	1019	959	37.10
6	A₁	671	632	0.61
7	A₁	293	276	0.59
8	A₂	3197	3010	0.00
9	A₂	1517	1428	0.00
10	A₂	826	777	0.00
11	A₂	168	158	0.00
12	E	3198	3011	19.86
12	E	3198	3011	19.86
13	E	3185	2998	5.10
13	E	3185	2998	5.10
14	E	3095	2914	17.10
14	E	3095	2914	17.10
15	E	1531	1442	6.76
15	E	1531	1442	6.76
16	E	1518	1429	4.55
16	E	1518	1429	4.55
17	E	1386	1305	1.79
17	E	1386	1305	1.79
18	E	999	940	20.98
18	E	999	940	20.98
19	E	881	829	0.14
19	E	881	829	0.14
20	E	732	689	11.55
20	E	732	689	11.55
21	E	254	239	0.21
21	E	254	239	0.21
22	E	203	191	0.00
22	E	203	191	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.607
C2	0.000	1.632	-0.280
C3	1.413	-0.816	-0.280
C4	-1.413	-0.816	-0.280
H5	0.000	1.513	-1.366
H6	-0.881	2.207	0.007
H7	0.881	2.207	0.007
H8	1.311	-0.757	-1.366
H9	2.352	-0.341	0.007
H10	1.471	-1.866	0.007
H11	-1.311	-0.757	-1.366
H12	-1.471	-1.866	0.007
H13	-2.352	-0.341	0.007

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8569	1.8569	1.8569	2.4862	2.4505	2.4505	2.4862	2.4505	2.4505	2.4862	2.4505	2.4505
C2	1.8569		2.8259	2.8259	1.0923	1.0907	1.0907	2.9326	3.0825	3.8053	2.9326	3.8053	3.0825
C3	1.8569	2.8259		2.8259	2.9326	3.8053	3.0825	1.0923	1.0907	1.0907	2.9326	3.0825	3.8053
C4	1.8569	2.8259	2.8259		2.9326	3.0825	3.8053	2.9326	3.8053	3.0825	1.0923	1.0907	1.0907
H5	2.4862	1.0923	2.9326	2.9326		1.7729	1.7729	2.6211	3.2944	3.9333	2.6211	3.9333	3.2944
H6	2.4505	1.0907	3.8053	3.0825	1.7729		1.7618	3.9333	4.1156	4.7032	3.2944	4.1156	2.9414
H7	2.4505	1.0907	3.0825	3.8053	1.7729	1.7618		3.2944	2.9414	4.1156	3.9333	4.7032	4.1156
H8	2.4862	2.9326	1.0923	2.9326	2.6211	3.9333	3.2944		1.7729	1.7729	2.6211	3.2944	3.9333
H9	2.4505	3.0825	1.0907	3.8053	3.2944	4.1156	2.9414	1.7729		1.7618	3.9333	4.1156	4.7032
H10	2.4505	3.8053	1.0907	3.0825	3.9333	4.7032	4.1156	1.7729	1.7618		3.2944	2.9414	4.1156
H11	2.4862	2.9326	2.9326	1.0923	2.6211	3.2944	3.9333	2.6211	3.9333	3.2944		1.7729	1.7729
H12	2.4505	3.8053	3.0825	1.0907	3.9333	4.1156	4.7032	3.2944	4.1156	2.9414	1.7729		1.7618
H13	2.4505	3.0825	3.8053	1.0907	3.2944	2.9414	4.1156	3.9333	4.7032	4.1156	1.7729	1.7618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.309	P1	C2	H6	109.729
P1	C2	H7	109.729	P1	C3	H8	112.308
P1	C3	H9	109.729	P1	C3	H10	109.729
P1	C4	H11	112.308	P1	C4	H12	109.729
P1	C4	H13	109.729	C2	P1	C3	99.090
C2	P1	C4	99.090	C3	P1	C4	99.090
H5	C2	H6	108.610	H5	C2	H7	108.610
H6	C2	H7	107.737	H8	C3	H9	108.610
H8	C3	H10	108.610	H9	C3	H10	107.737
H11	C4	H12	108.610	H11	C4	H13	108.610
H12	C4	H13	107.737

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

using model chemistry: QCISD/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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All results from a given calculation for P(CH3)3 (trimethylphosphine)

using model chemistry: QCISD/6-31G**

States and conformations

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