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	hartrees
Energy at 0K	-457.218545
Energy at 298.15K	-457.228212
HF Energy	-457.218545
Nuclear repulsion energy	178.100425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3047	2992	21.75
2	A₁	2950	2896	27.53
3	A₁	1486	1460	19.12
4	A₁	1339	1315	14.38
5	A₁	987	969	52.92
6	A₁	673	661	0.02
7	A₁	288	282	0.11
8	A₂	3067	3012	0.00
9	A₂	1445	1419	0.00
10	A₂	795	780	0.00
11	A₂	177	174	0.00
12	E	3067	3011	5.74
12	E	3067	3011	5.74
13	E	3046	2991	1.90
13	E	3046	2991	1.90
14	E	2954	2901	7.46
14	E	2954	2901	7.47
15	E	1467	1440	20.15
15	E	1467	1440	20.15
16	E	1462	1436	8.96
16	E	1462	1436	8.96
17	E	1313	1289	24.61
17	E	1313	1289	24.61
18	E	967	950	30.18
18	E	967	950	30.18
19	E	846	830	3.41
19	E	846	830	3.41
20	E	728	715	10.02
20	E	728	715	10.02
21	E	246	242	0.04
21	E	246	242	0.04
22	E	206	202	0.12
22	E	206	202	0.12

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.624
C2	0.000	1.597	-0.286
C3	1.383	-0.799	-0.286
C4	-1.383	-0.799	-0.286
H5	0.000	1.439	-1.383
H6	-0.893	2.187	-0.011
H7	0.893	2.187	-0.011
H8	1.246	-0.719	-1.383
H9	2.341	-0.320	-0.011
H10	1.448	-1.867	-0.011
H11	-1.246	-0.719	-1.383
H12	-1.448	-1.867	-0.011
H13	-2.341	-0.320	-0.011

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8382	1.8382	1.8382	2.4691	2.4463	2.4463	2.4691	2.4463	2.4463	2.4691	2.4463	2.4463
C2	1.8382		2.7666	2.7666	1.1082	1.1053	1.1053	2.8500	3.0383	3.7648	2.8500	3.7648	3.0383
C3	1.8382	2.7666		2.7666	2.8500	3.7648	3.0383	1.1082	1.1053	1.1053	2.8500	3.0383	3.7648
C4	1.8382	2.7666	2.7666		2.8500	3.0383	3.7648	2.8500	3.7648	3.0383	1.1082	1.1053	1.1053
H5	2.4691	1.1082	2.8500	2.8500		1.8001	1.8001	2.4920	3.2334	3.8610	2.4920	3.8610	3.2334
H6	2.4463	1.1053	3.7648	3.0383	1.8001		1.7866	3.8610	4.0921	4.6816	3.2334	4.0921	2.8950
H7	2.4463	1.1053	3.0383	3.7648	1.8001	1.7866		3.2334	2.8950	4.0921	3.8610	4.6816	4.0921
H8	2.4691	2.8500	1.1082	2.8500	2.4920	3.8610	3.2334		1.8001	1.8001	2.4920	3.2334	3.8610
H9	2.4463	3.0383	1.1053	3.7648	3.2334	4.0921	2.8950	1.8001		1.7866	3.8610	4.0921	4.6816
H10	2.4463	3.7648	1.1053	3.0383	3.8610	4.6816	4.0921	1.8001	1.7866		3.2334	2.8950	4.0921
H11	2.4691	2.8500	2.8500	1.1082	2.4920	3.2334	3.8610	2.4920	3.8610	3.2334		1.8001	1.8001
H12	2.4463	3.7648	3.0383	1.1053	3.8610	4.0921	4.6816	3.2334	4.0921	2.8950	1.8001		1.7866
H13	2.4463	3.0383	3.7648	1.1053	3.2334	2.8950	4.0921	3.8610	4.6816	4.0921	1.8001	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.441	P1	C2	H6	109.911
P1	C2	H7	109.911	P1	C3	H8	111.441
P1	C3	H9	109.911	P1	C3	H10	109.910
P1	C4	H11	111.441	P1	C4	H12	109.910
P1	C4	H13	109.911	C2	P1	C3	97.620
C2	P1	C4	97.620	C3	P1	C4	97.620
H5	C2	H6	108.828	H5	C2	H7	108.828
H6	C2	H7	107.839	H8	C3	H9	108.828
H8	C3	H10	108.828	H9	C3	H10	107.839
H11	C4	H12	108.828	H11	C4	H13	108.828
H12	C4	H13	107.839

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

using model chemistry: LSDA/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	0.557
2	C	-0.846
3	C	-0.846
4	C	-0.846
5	H	0.209
6	H	0.225
7	H	0.225
8	H	0.209
9	H	0.225
10	H	0.225
11	H	0.209
12	H	0.225
13	H	0.225

<r²>	120.161
(<r²>)^1/2	10.962

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

using model chemistry: LSDA/3-21G*

States and conformations

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