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	hartrees
Energy at 0K	-461.047248
Energy at 298.15K	-461.056919
HF Energy	-461.047248
Nuclear repulsion energy	177.263176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3148	3011	40.21
2	A₁	3054	2922	37.09
3	A₁	1486	1421	15.27
4	A₁	1348	1289	6.11
5	A₁	976	933	30.67
6	A₁	664	635	0.22
7	A₁	287	274	0.89
8	A₂	3165	3028	0.00
9	A₂	1459	1396	0.00
10	A₂	791	757	0.00
11	A₂	180	172	0.00
12	E	3165	3028	12.69
12	E	3165	3028	12.69
13	E	3150	3013	2.63
13	E	3150	3013	2.63
14	E	3058	2925	21.15
14	E	3058	2925	21.16
15	E	1477	1412	14.92
15	E	1477	1412	14.92
16	E	1467	1403	6.07
16	E	1467	1403	6.07
17	E	1321	1264	8.43
17	E	1321	1264	8.44
18	E	964	922	21.97
18	E	964	922	21.97
19	E	840	804	0.29
19	E	840	804	0.29
20	E	722	691	13.18
20	E	722	691	13.18
21	E	248	237	0.22
21	E	248	237	0.22
22	E	207	198	0.01
22	E	207	198	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.602
C2	0.000	1.625	-0.279
C3	1.408	-0.813	-0.279
C4	-1.408	-0.813	-0.279
H5	0.000	1.511	-1.367
H6	-0.881	2.201	0.013
H7	0.881	2.201	0.013
H8	1.308	-0.755	-1.367
H9	2.347	-0.338	0.013
H10	1.466	-1.863	0.013
H11	-1.308	-0.755	-1.367
H12	-1.466	-1.863	0.013
H13	-2.347	-0.338	0.013

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8489	1.8489	1.8489	2.4821	2.4430	2.4430	2.4821	2.4430	2.4430	2.4821	2.4430	2.4430
C2	1.8489		2.8154	2.8154	1.0943	1.0919	1.0919	2.9265	3.0737	3.7955	2.9265	3.7955	3.0737
C3	1.8489	2.8154		2.8154	2.9265	3.7955	3.0737	1.0943	1.0919	1.0919	2.9265	3.0737	3.7955
C4	1.8489	2.8154	2.8154		2.9265	3.0737	3.7955	2.9265	3.7955	3.0737	1.0943	1.0919	1.0919
H5	2.4821	1.0943	2.9265	2.9265		1.7770	1.7770	2.6166	3.2909	3.9292	2.6166	3.9292	3.2909
H6	2.4430	1.0919	3.7955	3.0737	1.7770		1.7612	3.9292	4.1065	4.6933	3.2909	4.1065	2.9321
H7	2.4430	1.0919	3.0737	3.7955	1.7770	1.7612		3.2909	2.9321	4.1065	3.9292	4.6933	4.1065
H8	2.4821	2.9265	1.0943	2.9265	2.6166	3.9292	3.2909		1.7770	1.7770	2.6166	3.2909	3.9292
H9	2.4430	3.0737	1.0919	3.7955	3.2909	4.1065	2.9321	1.7770		1.7612	3.9292	4.1065	4.6933
H10	2.4430	3.7955	1.0919	3.0737	3.9292	4.6933	4.1065	1.7770	1.7612		3.2909	2.9321	4.1065
H11	2.4821	2.9265	2.9265	1.0943	2.6166	3.2909	3.9292	2.6166	3.9292	3.2909		1.7770	1.7770
H12	2.4430	3.7955	3.0737	1.0919	3.9292	4.1065	4.6933	3.2909	4.1065	2.9321	1.7770		1.7612
H13	2.4430	3.0737	3.7955	1.0919	3.2909	2.9321	4.1065	3.9292	4.6933	4.1065	1.7770	1.7612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.442	P1	C2	H6	109.642
P1	C2	H7	109.642	P1	C3	H8	112.442
P1	C3	H9	109.642	P1	C3	H10	109.642
P1	C4	H11	112.442	P1	C4	H12	109.642
P1	C4	H13	109.642	C2	P1	C3	99.169
C2	P1	C4	99.169	C3	P1	C4	99.169
H5	C2	H6	108.741	H5	C2	H7	108.741
H6	C2	H7	107.502	H8	C3	H9	108.741
H8	C3	H10	108.741	H9	C3	H10	107.502
H11	C4	H12	108.741	H11	C4	H13	108.741
H12	C4	H13	107.502

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

using model chemistry: B1B95/6-31+G**

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	0.305
2	C	-0.635
3	C	-0.635
4	C	-0.635
5	H	0.170
6	H	0.182
7	H	0.182
8	H	0.170
9	H	0.182
10	H	0.182
11	H	0.170
12	H	0.182
13	H	0.182

<r²>	122.567
(<r²>)^1/2	11.071

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

using model chemistry: B1B95/6-31+G**

States and conformations

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