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	hartrees
Energy at 0K	-460.876490
Energy at 298.15K	-460.886240
HF Energy	-460.645699
Nuclear repulsion energy	176.895536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3126	3126	45.82
2	A₁	3045	3045	37.01
3	A₁	1521	1521	13.55
4	A₁	1390	1390	4.25
5	A₁	1008	1008	46.21
6	A₁	658	658	0.29
7	A₁	300	300	1.07
8	A₂	3140	3140	0.00
9	A₂	1490	1490	0.00
10	A₂	815	815	0.00
11	A₂	174	174	0.00
12	E	3140	3140	18.92
12	E	3140	3140	18.92
13	E	3126	3126	4.51
13	E	3126	3126	4.51
14	E	3046	3046	20.39
14	E	3046	3046	20.38
15	E	1508	1508	14.73
15	E	1508	1508	14.73
16	E	1499	1499	4.34
16	E	1499	1499	4.35
17	E	1361	1361	8.38
17	E	1361	1361	8.38
18	E	986	986	24.28
18	E	986	986	24.28
19	E	869	869	0.28
19	E	869	869	0.28
20	E	714	714	12.38
20	E	714	714	12.39
21	E	256	256	0.22
21	E	256	256	0.22
22	E	209	209	0.02
22	E	209	209	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.605
C2	0.000	1.629	-0.280
C3	1.411	-0.815	-0.280
C4	-1.411	-0.815	-0.280
H5	0.000	1.517	-1.367
H6	-0.880	2.207	0.010
H7	0.880	2.207	0.010
H8	1.313	-0.758	-1.367
H9	2.351	-0.342	0.010
H10	1.471	-1.865	0.010
H11	-1.313	-0.758	-1.367
H12	-1.471	-1.865	0.010
H13	-2.351	-0.342	0.010

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8541	1.8541	1.8541	2.4882	2.4491	2.4491	2.4882	2.4491	2.4491	2.4882	2.4491	2.4491
C2	1.8541		2.8220	2.8220	1.0935	1.0914	1.0914	2.9341	3.0815	3.8027	2.9341	3.8027	3.0815
C3	1.8541	2.8220		2.8220	2.9341	3.8027	3.0815	1.0935	1.0914	1.0914	2.9341	3.0815	3.8027
C4	1.8541	2.8220	2.8220		2.9341	3.0815	3.8027	2.9341	3.8027	3.0815	1.0935	1.0914	1.0914
H5	2.4882	1.0935	2.9341	2.9341		1.7739	1.7739	2.6270	3.2981	3.9369	2.6270	3.9369	3.2981
H6	2.4491	1.0914	3.8027	3.0815	1.7739		1.7592	3.9369	4.1148	4.7020	3.2981	4.1148	2.9428
H7	2.4491	1.0914	3.0815	3.8027	1.7739	1.7592		3.2981	2.9428	4.1148	3.9369	4.7020	4.1148
H8	2.4882	2.9341	1.0935	2.9341	2.6270	3.9369	3.2981		1.7739	1.7739	2.6270	3.2981	3.9369
H9	2.4491	3.0815	1.0914	3.8027	3.2981	4.1148	2.9428	1.7739		1.7592	3.9369	4.1148	4.7020
H10	2.4491	3.8027	1.0914	3.0815	3.9369	4.7020	4.1148	1.7739	1.7592		3.2981	2.9428	4.1148
H11	2.4882	2.9341	2.9341	1.0935	2.6270	3.2981	3.9369	2.6270	3.9369	3.2981		1.7739	1.7739
H12	2.4491	3.8027	3.0815	1.0914	3.9369	4.1148	4.7020	3.2981	4.1148	2.9428	1.7739		1.7592
H13	2.4491	3.0815	3.8027	1.0914	3.2981	2.9428	4.1148	3.9369	4.7020	4.1148	1.7739	1.7592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.597	P1	C2	H6	109.780
P1	C2	H7	109.780	P1	C3	H8	112.597
P1	C3	H9	109.780	P1	C3	H10	109.780
P1	C4	H11	112.597	P1	C4	H12	109.780
P1	C4	H13	109.780	C2	P1	C3	99.110
C2	P1	C4	99.110	C3	P1	C4	99.110
H5	C2	H6	108.568	H5	C2	H7	108.568
H6	C2	H7	107.400	H8	C3	H9	108.568
H8	C3	H10	108.568	H9	C3	H10	107.400
H11	C4	H12	108.568	H11	C4	H13	108.568
H12	C4	H13	107.400

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

using model chemistry: B2PLYP=FULL/6-311G*

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/6-311G*

States and conformations

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