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	hartrees
Energy at 0K	-461.163721
Energy at 298.15K	-461.173409
HF Energy	-461.163721
Nuclear repulsion energy	176.161021

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3094	2991	42.31
2	A₁	3016	2916	36.92
3	A₁	1486	1437	11.54
4	A₁	1350	1305	2.70
5	A₁	986	953	42.61
6	A₁	636	615	0.36
7	A₁	298	288	0.88
8	A₂	3107	3003	0.00
9	A₂	1459	1411	0.00
10	A₂	799	773	0.00
11	A₂	178	172	0.00
12	E	3107	3004	17.49
12	E	3107	3004	17.50
13	E	3094	2991	3.78
13	E	3094	2991	3.78
14	E	3018	2918	19.37
14	E	3018	2918	19.38
15	E	1476	1427	12.23
15	E	1476	1427	12.23
16	E	1466	1418	4.58
16	E	1466	1418	4.58
17	E	1323	1279	5.49
17	E	1323	1279	5.49
18	E	965	933	23.12
18	E	965	933	23.12
19	E	847	819	0.19
19	E	847	819	0.19
20	E	692	669	13.14
20	E	692	669	13.14
21	E	252	244	0.18
21	E	252	244	0.18
22	E	208	201	0.02
22	E	208	201	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.602
C2	0.000	1.641	-0.280
C3	1.421	-0.820	-0.280
C4	-1.421	-0.820	-0.280
H5	0.000	1.534	-1.369
H6	-0.882	2.214	0.018
H7	0.882	2.214	0.018
H8	1.329	-0.767	-1.369
H9	2.358	-0.343	0.018
H10	1.476	-1.870	0.018
H11	-1.329	-0.767	-1.369
H12	-1.476	-1.870	0.018
H13	-2.358	-0.343	0.018

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8627	1.8627	1.8627	2.4978	2.4533	2.4533	2.4978	2.4533	2.4533	2.4978	2.4533	2.4533
C2	1.8627		2.8421	2.8421	1.0948	1.0927	1.0927	2.9583	3.0961	3.8206	2.9583	3.8206	3.0961
C3	1.8627	2.8421		2.8421	2.9583	3.8206	3.0961	1.0948	1.0927	1.0927	2.9583	3.0961	3.8206
C4	1.8627	2.8421	2.8421		2.9583	3.0961	3.8206	2.9583	3.8206	3.0961	1.0948	1.0927	1.0927
H5	2.4978	1.0948	2.9583	2.9583		1.7785	1.7785	2.6576	3.3182	3.9618	2.6576	3.9618	3.3182
H6	2.4533	1.0927	3.8206	3.0961	1.7785		1.7631	3.9618	4.1272	4.7159	3.3182	4.1272	2.9528
H7	2.4533	1.0927	3.0961	3.8206	1.7785	1.7631		3.3182	2.9528	4.1272	3.9618	4.7159	4.1272
H8	2.4978	2.9583	1.0948	2.9583	2.6576	3.9618	3.3182		1.7785	1.7785	2.6576	3.3182	3.9618
H9	2.4533	3.0961	1.0927	3.8206	3.3182	4.1272	2.9528	1.7785		1.7631	3.9618	4.1272	4.7159
H10	2.4533	3.8206	1.0927	3.0961	3.9618	4.7159	4.1272	1.7785	1.7631		3.3182	2.9528	4.1272
H11	2.4978	2.9583	2.9583	1.0948	2.6576	3.3182	3.9618	2.6576	3.9618	3.3182		1.7785	1.7785
H12	2.4533	3.8206	3.0961	1.0927	3.9618	4.1272	4.7159	3.3182	4.1272	2.9528	1.7785		1.7631
H13	2.4533	3.0961	3.8206	1.0927	3.3182	2.9528	4.1272	3.9618	4.7159	4.1272	1.7785	1.7631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.660	P1	C2	H6	109.449
P1	C2	H7	109.449	P1	C3	H8	112.660
P1	C3	H9	109.449	P1	C3	H10	109.449
P1	C4	H11	112.660	P1	C4	H12	109.449
P1	C4	H13	109.449	C2	P1	C3	99.443
C2	P1	C4	99.443	C3	P1	C4	99.443
H5	C2	H6	108.790	H5	C2	H7	108.790
H6	C2	H7	107.568	H8	C3	H9	108.790
H8	C3	H10	108.790	H9	C3	H10	107.568
H11	C4	H12	108.790	H11	C4	H13	108.790
H12	C4	H13	107.568

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

using model chemistry: B3LYP/6-311G**

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	0.408
2	C	-0.523
3	C	-0.523
4	C	-0.523
5	H	0.119
6	H	0.134
7	H	0.134
8	H	0.119
9	H	0.134
10	H	0.134
11	H	0.119
12	H	0.134
13	H	0.134

<r²>	124.294
(<r²>)^1/2	11.149

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

using model chemistry: B3LYP/6-311G**

States and conformations

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