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	hartrees
Energy at 0K	-457.733232
Energy at 298.15K	-457.743125
HF Energy	-457.299048
Nuclear repulsion energy	176.210012

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3088	2954	37.88
2	A₁	3014	2883	22.07
3	A₁	1567	1499	9.75
4	A₁	1437	1375	4.38
5	A₁	1046	1000	41.49
6	A₁	662	633	0.28
7	A₁	311	297	0.22
8	A₂	3098	2963	0.00
9	A₂	1545	1477	0.00
10	A₂	861	824	0.00
11	A₂	195	187	0.00
12	E	3099	2964	16.95
12	E	3099	2964	16.95
13	E	3086	2952	5.10
13	E	3086	2952	5.10
14	E	3015	2884	14.13
14	E	3015	2884	14.13
15	E	1558	1490	10.39
15	E	1558	1490	10.39
16	E	1549	1482	5.18
16	E	1549	1482	5.18
17	E	1416	1354	6.50
17	E	1416	1354	6.50
18	E	1027	982	22.24
18	E	1027	982	22.24
19	E	912	872	0.98
19	E	912	872	0.98
20	E	721	690	10.41
20	E	721	690	10.41
21	E	263	252	0.12
21	E	263	252	0.12
22	E	212	203	0.01
22	E	212	203	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.612
C2	0.000	1.633	-0.282
C3	1.414	-0.816	-0.282
C4	-1.414	-0.816	-0.282
H5	0.000	1.501	-1.375
H6	-0.890	2.212	0.004
H7	0.890	2.212	0.004
H8	1.300	-0.751	-1.375
H9	2.361	-0.335	0.004
H10	1.471	-1.877	0.004
H11	-1.300	-0.751	-1.375
H12	-1.471	-1.877	0.004
H13	-2.361	-0.335	0.004

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8615	1.8615	1.8615	2.4906	2.4609	2.4609	2.4906	2.4609	2.4609	2.4906	2.4609	2.4609
C2	1.8615		2.8281	2.8281	1.1014	1.0999	1.0999	2.9269	3.0871	3.8163	2.9269	3.8163	3.0871
C3	1.8615	2.8281		2.8281	2.9269	3.8163	3.0871	1.1014	1.0999	1.0999	2.9269	3.0871	3.8163
C4	1.8615	2.8281	2.8281		2.9269	3.0871	3.8163	2.9269	3.8163	3.0871	1.1014	1.0999	1.0999
H5	2.4906	1.1014	2.9269	2.9269		1.7891	1.7891	2.6002	3.2940	3.9343	2.6002	3.9343	3.2940
H6	2.4609	1.0999	3.8163	3.0871	1.7891		1.7801	3.9343	4.1304	4.7220	3.2940	4.1304	2.9419
H7	2.4609	1.0999	3.0871	3.8163	1.7891	1.7801		3.2940	2.9419	4.1304	3.9343	4.7220	4.1304
H8	2.4906	2.9269	1.1014	2.9269	2.6002	3.9343	3.2940		1.7891	1.7891	2.6002	3.2940	3.9343
H9	2.4609	3.0871	1.0999	3.8163	3.2940	4.1304	2.9419	1.7891		1.7801	3.9343	4.1304	4.7220
H10	2.4609	3.8163	1.0999	3.0871	3.9343	4.7220	4.1304	1.7891	1.7801		3.2940	2.9419	4.1304
H11	2.4906	2.9269	2.9269	1.1014	2.6002	3.2940	3.9343	2.6002	3.9343	3.2940		1.7891	1.7891
H12	2.4609	3.8163	3.0871	1.0999	3.9343	4.1304	4.7220	3.2940	4.1304	2.9419	1.7891		1.7801
H13	2.4609	3.0871	3.8163	1.0999	3.2940	2.9419	4.1304	3.9343	4.7220	4.1304	1.7891	1.7801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.834	P1	C2	H6	109.717
P1	C2	H7	109.717	P1	C3	H8	111.834
P1	C3	H9	109.717	P1	C3	H10	109.717
P1	C4	H11	111.834	P1	C4	H12	109.717
P1	C4	H13	109.717	C2	P1	C3	98.869
C2	P1	C4	98.869	C3	P1	C4	98.869
H5	C2	H6	108.726	H5	C2	H7	108.726
H6	C2	H7	108.035	H8	C3	H9	108.726
H8	C3	H10	108.726	H9	C3	H10	108.035
H11	C4	H12	108.726	H11	C4	H13	108.726
H12	C4	H13	108.035

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

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

using model chemistry: CCD/3-21G*

States and conformations

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