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	hartrees
Energy at 0K	-461.055379
Energy at 298.15K	-461.065093
HF Energy	-461.055379
Nuclear repulsion energy	176.769444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3111	2995	44.28
2	A₁	3027	2915	36.77
3	A₁	1500	1444	14.65
4	A₁	1364	1313	4.17
5	A₁	995	958	50.01
6	A₁	652	628	0.16
7	A₁	297	286	0.67
8	A₂	3124	3007	0.00
9	A₂	1468	1413	0.00
10	A₂	800	770	0.00
11	A₂	181	174	0.00
12	E	3125	3008	17.30
12	E	3125	3008	17.30
13	E	3111	2995	3.68
13	E	3111	2995	3.68
14	E	3029	2916	21.53
14	E	3029	2916	21.53
15	E	1487	1431	16.30
15	E	1487	1431	16.30
16	E	1477	1422	4.32
16	E	1477	1422	4.32
17	E	1334	1284	9.86
17	E	1334	1284	9.86
18	E	972	936	26.88
18	E	972	936	26.89
19	E	852	820	0.58
19	E	852	820	0.58
20	E	709	682	12.15
20	E	709	682	12.16
21	E	252	243	0.16
21	E	252	243	0.16
22	E	211	204	0.05
22	E	211	204	0.05

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.601
C2	0.000	1.632	-0.278
C3	1.413	-0.816	-0.278
C4	-1.413	-0.816	-0.278
H5	0.000	1.529	-1.369
H6	-0.880	2.209	0.016
H7	0.880	2.209	0.016
H8	1.324	-0.764	-1.369
H9	2.353	-0.342	0.016
H10	1.472	-1.867	0.016
H11	-1.324	-0.764	-1.369
H12	-1.472	-1.867	0.016
H13	-2.353	-0.342	0.016

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8537	1.8537	1.8537	2.4937	2.4485	2.4485	2.4937	2.4485	2.4485	2.4937	2.4485	2.4485
C2	1.8537		2.8259	2.8259	1.0952	1.0932	1.0932	2.9464	3.0850	3.8070	2.9464	3.8070	3.0850
C3	1.8537	2.8259		2.8259	2.9464	3.8070	3.0850	1.0952	1.0932	1.0932	2.9464	3.0850	3.8070
C4	1.8537	2.8259	2.8259		2.9464	3.0850	3.8070	2.9464	3.8070	3.0850	1.0952	1.0932	1.0932
H5	2.4937	1.0952	2.9464	2.9464		1.7767	1.7767	2.6475	3.3096	3.9516	2.6475	3.9516	3.3096
H6	2.4485	1.0932	3.8070	3.0850	1.7767		1.7608	3.9516	4.1181	4.7058	3.3096	4.1181	2.9450
H7	2.4485	1.0932	3.0850	3.8070	1.7767	1.7608		3.3096	2.9450	4.1181	3.9516	4.7058	4.1181
H8	2.4937	2.9464	1.0952	2.9464	2.6475	3.9516	3.3096		1.7767	1.7767	2.6475	3.3096	3.9516
H9	2.4485	3.0850	1.0932	3.8070	3.3096	4.1181	2.9450	1.7767		1.7608	3.9516	4.1181	4.7058
H10	2.4485	3.8070	1.0932	3.0850	3.9516	4.7058	4.1181	1.7767	1.7608		3.3096	2.9450	4.1181
H11	2.4937	2.9464	2.9464	1.0952	2.6475	3.3096	3.9516	2.6475	3.9516	3.3096		1.7767	1.7767
H12	2.4485	3.8070	3.0850	1.0932	3.9516	4.1181	4.7058	3.3096	4.1181	2.9450	1.7767		1.7608
H13	2.4485	3.0850	3.8070	1.0932	3.3096	2.9450	4.1181	3.9516	4.7058	4.1181	1.7767	1.7608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.942	P1	C2	H6	109.667
P1	C2	H7	109.667	P1	C3	H8	112.942
P1	C3	H9	109.667	P1	C3	H10	109.667
P1	C4	H11	112.942	P1	C4	H12	109.667
P1	C4	H13	109.667	C2	P1	C3	99.325
C2	P1	C4	99.325	C3	P1	C4	99.325
H5	C2	H6	108.555	H5	C2	H7	108.555
H6	C2	H7	107.289	H8	C3	H9	108.555
H8	C3	H10	108.555	H9	C3	H10	107.289
H11	C4	H12	108.555	H11	C4	H13	108.555
H12	C4	H13	107.289

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

using model chemistry: B3PW91/6-311G*

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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Number	Element	Mulliken
1	P	0.491
2	C	-0.888
3	C	-0.888
4	C	-0.888
5	H	0.230
6	H	0.247
7	H	0.247
8	H	0.230
9	H	0.247
10	H	0.247
11	H	0.230
12	H	0.247
13	H	0.247

	x	y	z
x	9.183	0.000	0.000
y	0.000	9.184	0.001
z	0.000	0.001	8.057

<r²>	123.246
(<r²>)^1/2	11.102

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

using model chemistry: B3PW91/6-311G*

States and conformations

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