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	hartrees
Energy at 0K	-458.738602
Energy at 298.15K	-458.748401
HF Energy	-458.738602
Nuclear repulsion energy	176.763559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3116	2989	35.59
2	A₁	3032	2909	21.49
3	A₁	1547	1485	14.05
4	A₁	1402	1345	6.74
5	A₁	1027	985	55.63
6	A₁	660	633	0.07
7	A₁	307	294	0.08
8	A₂	3123	2997	0.00
9	A₂	1515	1453	0.00
10	A₂	833	800	0.00
11	A₂	182	175	0.00
12	E	3124	2997	13.12
12	E	3124	2997	13.13
13	E	3115	2988	2.58
13	E	3115	2988	2.58
14	E	3034	2911	14.66
14	E	3034	2911	14.66
15	E	1534	1472	16.53
15	E	1534	1472	16.53
16	E	1525	1463	6.48
16	E	1525	1463	6.48
17	E	1377	1321	14.89
17	E	1377	1321	14.89
18	E	1004	963	29.42
18	E	1004	963	29.42
19	E	882	846	2.19
19	E	882	846	2.19
20	E	717	688	11.67
20	E	717	688	11.67
21	E	258	248	0.05
21	E	258	248	0.05
22	E	209	201	0.08
22	E	209	201	0.08

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.611
C2	0.000	1.626	-0.283
C3	1.408	-0.813	-0.283
C4	-1.408	-0.813	-0.283
H5	0.000	1.502	-1.374
H6	-0.887	2.204	0.007
H7	0.887	2.204	0.007
H8	1.300	-0.751	-1.374
H9	2.352	-0.334	0.007
H10	1.466	-1.870	0.007
H11	-1.300	-0.751	-1.374
H12	-1.466	-1.870	0.007
H13	-2.352	-0.334	0.007

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8553	1.8553	1.8553	2.4891	2.4516	2.4516	2.4891	2.4516	2.4516	2.4891	2.4516	2.4516
C2	1.8553		2.8161	2.8161	1.0987	1.0975	1.0975	2.9208	3.0757	3.8018	2.9208	3.8018	3.0757
C3	1.8553	2.8161		2.8161	2.9208	3.8018	3.0757	1.0987	1.0975	1.0975	2.9208	3.0757	3.8018
C4	1.8553	2.8161	2.8161		2.9208	3.0757	3.8018	2.9208	3.8018	3.0757	1.0987	1.0975	1.0975
H5	2.4891	1.0987	2.9208	2.9208		1.7853	1.7853	2.6008	3.2881	3.9272	2.6008	3.9272	3.2881
H6	2.4516	1.0975	3.8018	3.0757	1.7853		1.7731	3.9272	4.1154	4.7047	3.2881	4.1153	2.9316
H7	2.4516	1.0975	3.0757	3.8018	1.7853	1.7731		3.2881	2.9316	4.1153	3.9272	4.7047	4.1154
H8	2.4891	2.9208	1.0987	2.9208	2.6008	3.9272	3.2881		1.7853	1.7853	2.6008	3.2881	3.9272
H9	2.4516	3.0757	1.0975	3.8018	3.2881	4.1154	2.9316	1.7853		1.7731	3.9272	4.1153	4.7047
H10	2.4516	3.8018	1.0975	3.0757	3.9272	4.7047	4.1153	1.7853	1.7731		3.2881	2.9316	4.1153
H11	2.4891	2.9208	2.9208	1.0987	2.6008	3.2881	3.9272	2.6008	3.9272	3.2881		1.7853	1.7853
H12	2.4516	3.8018	3.0757	1.0975	3.9272	4.1153	4.7047	3.2881	4.1153	2.9316	1.7853		1.7731
H13	2.4516	3.0757	3.8018	1.0975	3.2881	2.9316	4.1154	3.9272	4.7047	4.1153	1.7853	1.7731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.295	P1	C2	H6	109.568
P1	C2	H7	109.568	P1	C3	H8	112.296
P1	C3	H9	109.568	P1	C3	H10	109.568
P1	C4	H11	112.296	P1	C4	H12	109.568
P1	C4	H13	109.568	C2	P1	C3	98.744
C2	P1	C4	98.744	C3	P1	C4	98.744
H5	C2	H6	108.768	H5	C2	H7	108.768
H6	C2	H7	107.764	H8	C3	H9	108.768
H8	C3	H10	108.768	H9	C3	H10	107.764
H11	C4	H12	108.768	H11	C4	H13	108.768
H12	C4	H13	107.764

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

using model chemistry: B3PW91/3-21G*

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	0.631
2	C	-0.862
3	C	-0.862
4	C	-0.862
5	H	0.211
6	H	0.221
7	H	0.221
8	H	0.211
9	H	0.221
10	H	0.221
11	H	0.211
12	H	0.221
13	H	0.221

<r²>	122.474
(<r²>)^1/2	11.067

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

using model chemistry: B3PW91/3-21G*

States and conformations

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