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	hartrees
Energy at 0K	-458.345477
Energy at 298.15K	-458.355081
HF Energy	-458.227753
Nuclear repulsion energy	173.121669

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3160	3008	29.43
2	A₁	3074	2927	19.82
3	A₁	1572	1496	12.84
4	A₁	1415	1347	3.78
5	A₁	1023	974	45.42
6	A₁	609	580	0.17
7	A₁	284	270	0.28
8	A₂	3169	3017	0.00
9	A₂	1543	1469	0.00
10	A₂	862	821	0.00
11	A₂	166	158	0.00
12	E	3170	3018	11.55
12	E	3170	3018	11.55
13	E	3159	3007	4.31
13	E	3159	3007	4.32
14	E	3076	2928	14.19
14	E	3076	2928	14.19
15	E	1559	1484	14.35
15	E	1559	1484	14.35
16	E	1553	1478	5.67
16	E	1553	1478	5.66
17	E	1386	1319	3.07
17	E	1386	1319	3.07
18	E	1013	964	21.50
18	E	1013	964	21.50
19	E	897	854	0.64
19	E	897	854	0.64
20	E	665	633	6.42
20	E	665	633	6.43
21	E	241	230	0.10
21	E	241	230	0.10
22	E	188	179	0.01
22	E	188	179	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.640
C2	0.000	1.669	-0.299
C3	1.446	-0.835	-0.299
C4	-1.446	-0.835	-0.299
H5	0.000	1.513	-1.382
H6	-0.888	2.237	-0.013
H7	0.888	2.237	-0.013
H8	1.310	-0.756	-1.382
H9	2.381	-0.349	-0.013
H10	1.493	-1.888	-0.013
H11	-1.310	-0.756	-1.382
H12	-1.493	-1.888	-0.013
H13	-2.381	-0.349	-0.013

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.9157	1.9157	1.9157	2.5253	2.4939	2.4939	2.5253	2.4939	2.4939	2.5253	2.4939	2.4939
C2	1.9157		2.8916	2.8916	1.0937	1.0922	1.0922	2.9619	3.1352	3.8684	2.9619	3.8684	3.1352
C3	1.9157	2.8916		2.8916	2.9619	3.8684	3.1352	1.0937	1.0922	1.0922	2.9619	3.1352	3.8684
C4	1.9157	2.8916	2.8916		2.9619	3.1352	3.8684	2.9619	3.8684	3.1352	1.0937	1.0922	1.0922
H5	2.5253	1.0937	2.9619	2.9619		1.7853	1.7853	2.6201	3.3186	3.9581	2.6201	3.9581	3.3186
H6	2.4939	1.0922	3.8684	3.1352	1.7853		1.7760	3.9581	4.1688	4.7627	3.3186	4.1688	2.9867
H7	2.4939	1.0922	3.1352	3.8684	1.7853	1.7760		3.3186	2.9867	4.1688	3.9581	4.7627	4.1688
H8	2.5253	2.9619	1.0937	2.9619	2.6201	3.9581	3.3186		1.7853	1.7853	2.6201	3.3186	3.9581
H9	2.4939	3.1352	1.0922	3.8684	3.3186	4.1688	2.9867	1.7853		1.7760	3.9581	4.1688	4.7627
H10	2.4939	3.8684	1.0922	3.1352	3.9581	4.7627	4.1688	1.7853	1.7760		3.3186	2.9867	4.1688
H11	2.5253	2.9619	2.9619	1.0937	2.6201	3.3186	3.9581	2.6201	3.9581	3.3186		1.7853	1.7853
H12	2.4939	3.8684	3.1352	1.0922	3.9581	4.1688	4.7627	3.3186	4.1688	2.9867	1.7853		1.7760
H13	2.4939	3.1352	3.8684	1.0922	3.3186	2.9867	4.1688	3.9581	4.7627	4.1688	1.7853	1.7760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.132	P1	C2	H6	108.917
P1	C2	H7	108.917	P1	C3	H8	111.132
P1	C3	H9	108.917	P1	C3	H10	108.917
P1	C4	H11	111.132	P1	C4	H12	108.917
P1	C4	H13	108.917	C2	P1	C3	98.000
C2	P1	C4	98.000	C3	P1	C4	98.000
H5	C2	H6	109.520	H5	C2	H7	109.520
H6	C2	H7	108.794	H8	C3	H9	109.520
H8	C3	H10	109.520	H9	C3	H10	108.794
H11	C4	H12	109.520	H11	C4	H13	109.520
H12	C4	H13	108.794

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)