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	hartrees
Energy at 0K	-454.202484
Energy at 298.15K	-454.212025
HF Energy	-454.202484
Nuclear repulsion energy	177.707243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3456	3095	1.80
2	A₁	3282	2939	0.91
3	A₁	1652	1480	11.31
4	A₁	1496	1340	8.22
5	A₁	1081	968	40.13
6	A₁	762	683	0.00
7	A₁	321	287	0.61
8	A₂	3470	3107	0.00
9	A₂	1642	1470	0.00
10	A₂	919	823	0.00
11	A₂	165	148	0.00
12	E	3471	3108	0.01
12	E	3471	3108	0.01
13	E	3456	3095	0.03
13	E	3456	3095	0.03
14	E	3286	2942	0.04
14	E	3286	2942	0.04
15	E	1649	1477	3.10
15	E	1649	1477	3.10
16	E	1646	1474	10.14
16	E	1646	1474	10.14
17	E	1473	1319	1.34
17	E	1473	1319	1.34
18	E	1059	948	25.45
18	E	1059	948	25.45
19	E	955	855	3.02
19	E	955	855	3.02
20	E	815	730	5.14
20	E	815	730	5.14
21	E	272	244	0.11
21	E	272	244	0.11
22	E	182	163	0.00
22	E	182	163	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.650
C2	0.000	1.592	-0.298
C3	1.379	-0.796	-0.298
C4	-1.379	-0.796	-0.298
H5	0.000	1.426	-1.385
H6	-0.888	2.184	-0.039
H7	0.888	2.184	-0.039
H8	1.235	-0.713	-1.385
H9	2.335	-0.323	-0.039
H10	1.448	-1.861	-0.039
H11	-1.235	-0.713	-1.385
H12	-1.448	-1.861	-0.039
H13	-2.335	-0.323	-0.039

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8530	1.8530	1.8530	2.4848	2.4563	2.4563	2.4848	2.4563	2.4563	2.4848	2.4563	2.4563
C2	1.8530		2.7574	2.7574	1.0993	1.0982	1.0982	2.8316	3.0314	3.7530	2.8316	3.7530	3.0314
C3	1.8530	2.7574		2.7574	2.8316	3.7530	3.0314	1.0993	1.0982	1.0982	2.8316	3.0314	3.7530
C4	1.8530	2.7574	2.7574		2.8316	3.0314	3.7530	2.8316	3.7530	3.0314	1.0993	1.0982	1.0982
H5	2.4848	1.0993	2.8316	2.8316		1.7817	1.7817	2.4697	3.2132	3.8353	2.4697	3.8353	3.2132
H6	2.4563	1.0982	3.7530	3.0314	1.7817		1.7755	3.8353	4.0836	4.6708	3.2132	4.0836	2.8953
H7	2.4563	1.0982	3.0314	3.7530	1.7817	1.7755		3.2132	2.8953	4.0836	3.8353	4.6708	4.0836
H8	2.4848	2.8316	1.0993	2.8316	2.4697	3.8353	3.2132		1.7817	1.7817	2.4697	3.2132	3.8353
H9	2.4563	3.0314	1.0982	3.7530	3.2132	4.0836	2.8953	1.7817		1.7755	3.8353	4.0836	4.6708
H10	2.4563	3.7530	1.0982	3.0314	3.8353	4.6708	4.0836	1.7817	1.7755		3.2132	2.8953	4.0836
H11	2.4848	2.8316	2.8316	1.0993	2.4697	3.2132	3.8353	2.4697	3.8353	3.2132		1.7817	1.7817
H12	2.4563	3.7530	3.0314	1.0982	3.8353	4.0836	4.6708	3.2132	4.0836	2.8953	1.7817		1.7755
H13	2.4563	3.0314	3.7530	1.0982	3.2132	2.8953	4.0836	3.8353	4.6708	4.0836	1.7817	1.7755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.090	P1	C2	H6	110.030
P1	C2	H7	110.030	P1	C3	H8	112.090
P1	C3	H9	110.030	P1	C3	H10	110.030
P1	C4	H11	112.090	P1	C4	H12	110.030
P1	C4	H13	110.030	C2	P1	C3	96.152
C2	P1	C4	96.152	C3	P1	C4	96.152
H5	C2	H6	108.347	H5	C2	H7	108.347
H6	C2	H7	107.880	H8	C3	H9	108.347
H8	C3	H10	108.347	H9	C3	H10	107.880
H11	C4	H12	108.347	H11	C4	H13	108.347
H12	C4	H13	107.880

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

using model chemistry: LSDA/STO-3G

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	0.412
2	C	-0.404
3	C	-0.404
4	C	-0.404
5	H	0.086
6	H	0.090
7	H	0.090
8	H	0.086
9	H	0.090
10	H	0.090
11	H	0.086
12	H	0.090
13	H	0.090

<r²>	118.446
(<r²>)^1/2	10.883

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

using model chemistry: LSDA/STO-3G

States and conformations

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