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	hartrees
Energy at 0K	-458.795821
Energy at 298.15K	-458.805649
HF Energy	-458.795821
Nuclear repulsion energy	177.169118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3134	2976	32.99
2	A₁	3049	2895	20.91
3	A₁	1555	1476	14.83
4	A₁	1411	1340	7.51
5	A₁	1033	981	56.52
6	A₁	670	636	0.06
7	A₁	308	293	0.10
8	A₂	3142	2984	0.00
9	A₂	1522	1445	0.00
10	A₂	837	795	0.00
11	A₂	181	172	0.00
12	E	3143	2984	11.82
12	E	3143	2984	11.82
13	E	3133	2975	2.47
13	E	3133	2975	2.47
14	E	3050	2897	13.67
14	E	3050	2897	13.67
15	E	1541	1463	17.15
15	E	1541	1463	17.15
16	E	1533	1455	6.74
16	E	1533	1455	6.74
17	E	1386	1316	16.59
17	E	1386	1316	16.59
18	E	1010	959	29.76
18	E	1010	959	29.76
19	E	887	842	2.24
19	E	887	842	2.24
20	E	726	690	11.67
20	E	726	690	11.67
21	E	259	246	0.06
21	E	259	246	0.06
22	E	210	199	0.07
22	E	210	199	0.07

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.611
C2	0.000	1.621	-0.282
C3	1.404	-0.810	-0.282
C4	-1.404	-0.810	-0.282
H5	0.000	1.494	-1.372
H6	-0.885	2.200	0.005
H7	0.885	2.200	0.005
H8	1.293	-0.747	-1.372
H9	2.348	-0.333	0.005
H10	1.462	-1.867	0.005
H11	-1.293	-0.747	-1.372
H12	-1.462	-1.867	0.005
H13	-2.348	-0.333	0.005

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8509	1.8509	1.8509	2.4827	2.4473	2.4473	2.4827	2.4473	2.4473	2.4827	2.4473	2.4473
C2	1.8509		2.8076	2.8076	1.0972	1.0959	1.0959	2.9098	3.0678	3.7925	2.9098	3.7925	3.0678
C3	1.8509	2.8076		2.8076	2.9098	3.7925	3.0678	1.0972	1.0959	1.0959	2.9098	3.0678	3.7925
C4	1.8509	2.8076	2.8076		2.9098	3.0678	3.7925	2.9098	3.7925	3.0678	1.0972	1.0959	1.0959
H5	2.4827	1.0972	2.9098	2.9098		1.7828	1.7828	2.5869	3.2777	3.9146	2.5869	3.9146	3.2777
H6	2.4473	1.0959	3.7925	3.0678	1.7828		1.7707	3.9146	4.1067	4.6951	3.2777	4.1067	2.9243
H7	2.4473	1.0959	3.0678	3.7925	1.7828	1.7707		3.2777	2.9243	4.1067	3.9146	4.6951	4.1067
H8	2.4827	2.9098	1.0972	2.9098	2.5869	3.9146	3.2777		1.7828	1.7828	2.5869	3.2777	3.9146
H9	2.4473	3.0678	1.0959	3.7925	3.2777	4.1067	2.9243	1.7828		1.7707	3.9146	4.1067	4.6951
H10	2.4473	3.7925	1.0959	3.0678	3.9146	4.6951	4.1067	1.7828	1.7707		3.2777	2.9243	4.1067
H11	2.4827	2.9098	2.9098	1.0972	2.5869	3.2777	3.9146	2.5869	3.9146	3.2777		1.7828	1.7828
H12	2.4473	3.7925	3.0678	1.0959	3.9146	4.1067	4.6951	3.2777	4.1067	2.9243	1.7828		1.7707
H13	2.4473	3.0678	3.7925	1.0959	3.2777	2.9243	4.1067	3.9146	4.6951	4.1067	1.7828	1.7707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.193	P1	C2	H6	109.621
P1	C2	H7	109.621	P1	C3	H8	112.193
P1	C3	H9	109.621	P1	C3	H10	109.621
P1	C4	H11	112.193	P1	C4	H12	109.621
P1	C4	H13	109.621	C2	P1	C3	98.653
C2	P1	C4	98.653	C3	P1	C4	98.653
H5	C2	H6	108.762	H5	C2	H7	108.762
H6	C2	H7	107.774	H8	C3	H9	108.762
H8	C3	H10	108.762	H9	C3	H10	107.774
H11	C4	H12	108.762	H11	C4	H13	108.762
H12	C4	H13	107.774

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

using model chemistry: mPW1PW91/3-21G*

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	0.639
2	C	-0.876
3	C	-0.876
4	C	-0.876
5	H	0.214
6	H	0.224
7	H	0.224
8	H	0.214
9	H	0.224
10	H	0.224
11	H	0.214
12	H	0.224
13	H	0.224

<r²>	121.967
(<r²>)^1/2	11.044

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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