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	hartrees
Energy at 0K	-458.462721
Energy at 298.15K	-458.472591
HF Energy	-458.329502
Nuclear repulsion energy	176.723384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3126	3126	36.81
2	A₁	3049	3049	23.06
3	A₁	1573	1573	10.64
4	A₁	1430	1430	4.95
5	A₁	1042	1042	48.21
6	A₁	659	659	0.19
7	A₁	310	310	0.17
8	A₂	3135	3135	0.00
9	A₂	1545	1545	0.00
10	A₂	852	852	0.00
11	A₂	192	192	0.00
12	E	3136	3136	15.34
12	E	3136	3136	15.33
13	E	3124	3124	3.93
13	E	3124	3124	3.93
14	E	3051	3051	14.07
14	E	3051	3051	14.07
15	E	1562	1562	12.55
15	E	1562	1562	12.55
16	E	1553	1553	5.90
16	E	1553	1553	5.91
17	E	1407	1407	8.61
17	E	1407	1407	8.61
18	E	1020	1020	25.47
18	E	1020	1020	25.47
19	E	902	902	1.41
19	E	902	902	1.41
20	E	716	716	11.62
20	E	716	716	11.63
21	E	261	261	0.10
21	E	261	261	0.10
22	E	212	212	0.03
22	E	212	212	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.613
C2	0.000	1.627	-0.283
C3	1.409	-0.814	-0.283
C4	-1.409	-0.814	-0.283
H5	0.000	1.498	-1.371
H6	-0.885	2.205	0.003
H7	0.885	2.205	0.003
H8	1.297	-0.749	-1.371
H9	2.352	-0.336	0.003
H10	1.467	-1.869	0.003
H11	-1.297	-0.749	-1.371
H12	-1.467	-1.869	0.003
H13	-2.352	-0.336	0.003

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8575	1.8575	1.8575	2.4859	2.4530	2.4530	2.4859	2.4530	2.4530	2.4859	2.4530	2.4530
C2	1.8575		2.8188	2.8188	1.0963	1.0949	1.0949	2.9179	3.0771	3.8025	2.9179	3.8025	3.0771
C3	1.8575	2.8188		2.8188	2.9179	3.8025	3.0771	1.0963	1.0949	1.0949	2.9179	3.0771	3.8025
C4	1.8575	2.8188	2.8188		2.9179	3.0771	3.8025	2.9179	3.8025	3.0771	1.0963	1.0949	1.0949
H5	2.4859	1.0963	2.9179	2.9179		1.7811	1.7811	2.5941	3.2837	3.9212	2.5941	3.9212	3.2837
H6	2.4530	1.0949	3.8025	3.0771	1.7811		1.7705	3.9212	4.1153	4.7043	3.2837	4.1153	2.9337
H7	2.4530	1.0949	3.0771	3.8025	1.7811	1.7705		3.2837	2.9337	4.1153	3.9212	4.7043	4.1153
H8	2.4859	2.9179	1.0963	2.9179	2.5941	3.9212	3.2837		1.7811	1.7811	2.5941	3.2837	3.9212
H9	2.4530	3.0771	1.0949	3.8025	3.2837	4.1153	2.9337	1.7811		1.7705	3.9212	4.1153	4.7043
H10	2.4530	3.8025	1.0949	3.0771	3.9212	4.7043	4.1153	1.7811	1.7705		3.2837	2.9337	4.1153
H11	2.4859	2.9179	2.9179	1.0963	2.5941	3.2837	3.9212	2.5941	3.9212	3.2837		1.7811	1.7811
H12	2.4530	3.8025	3.0771	1.0949	3.9212	4.1153	4.7043	3.2837	4.1153	2.9337	1.7811		1.7705
H13	2.4530	3.0771	3.8025	1.0949	3.2837	2.9337	4.1153	3.9212	4.7043	4.1153	1.7811	1.7705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.023	P1	C2	H6	109.655
P1	C2	H7	109.655	P1	C3	H8	112.023
P1	C3	H9	109.655	P1	C3	H10	109.655
P1	C4	H11	112.023	P1	C4	H12	109.655
P1	C4	H13	109.655	C2	P1	C3	98.709
C2	P1	C4	98.709	C3	P1	C4	98.709
H5	C2	H6	108.750	H5	C2	H7	108.750
H6	C2	H7	107.912	H8	C3	H9	108.750
H8	C3	H10	108.750	H9	C3	H10	107.912
H11	C4	H12	108.750	H11	C4	H13	108.750
H12	C4	H13	107.912

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/3-21G*

States and conformations

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