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	hartrees
Energy at 0K	-460.812393
Energy at 298.15K	-460.822096
HF Energy	-460.617646
Nuclear repulsion energy	176.635892

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3150	2996	44.70
2	A₁	3061	2911	37.21
3	A₁	1503	1430	13.40
4	A₁	1375	1308	4.49
5	A₁	994	945	29.60
6	A₁	656	624	0.49
7	A₁	295	280	1.18
8	A₂	3166	3011	0.00
9	A₂	1482	1409	0.00
10	A₂	808	768	0.00
11	A₂	174	166	0.00
12	E	3166	3011	15.69
12	E	3166	3011	15.69
13	E	3150	2996	3.47
13	E	3150	2996	3.47
14	E	3062	2912	22.71
14	E	3062	2912	22.71
15	E	1498	1425	13.23
15	E	1498	1425	13.23
16	E	1487	1414	5.91
16	E	1487	1414	5.91
17	E	1348	1282	5.78
17	E	1348	1282	5.78
18	E	979	931	19.58
18	E	979	931	19.58
19	E	858	816	0.03
19	E	858	816	0.03
20	E	716	681	13.51
20	E	716	681	13.51
21	E	253	241	0.27
21	E	253	241	0.27
22	E	204	194	0.00
22	E	204	194	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.604
C2	0.000	1.634	-0.279
C3	1.415	-0.817	-0.279
C4	-1.415	-0.817	-0.279
H5	0.000	1.518	-1.367
H6	-0.881	2.209	0.012
H7	0.881	2.209	0.012
H8	1.315	-0.759	-1.367
H9	2.354	-0.342	0.012
H10	1.473	-1.868	0.012
H11	-1.315	-0.759	-1.367
H12	-1.473	-1.868	0.012
H13	-2.354	-0.342	0.012

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8574	1.8574	1.8574	2.4875	2.4508	2.4508	2.4875	2.4508	2.4508	2.4875	2.4508	2.4508
C2	1.8574		2.8305	2.8305	1.0941	1.0918	1.0918	2.9392	3.0869	3.8101	2.9392	3.8101	3.0869
C3	1.8574	2.8305		2.8305	2.9392	3.8101	3.0869	1.0941	1.0918	1.0918	2.9392	3.0869	3.8101
C4	1.8574	2.8305	2.8305		2.9392	3.0869	3.8101	2.9392	3.8101	3.0869	1.0941	1.0918	1.0918
H5	2.4875	1.0941	2.9392	2.9392		1.7769	1.7769	2.6291	3.3017	3.9413	2.6291	3.9413	3.3017
H6	2.4508	1.0918	3.8101	3.0869	1.7769		1.7622	3.9413	4.1195	4.7075	3.3017	4.1195	2.9453
H7	2.4508	1.0918	3.0869	3.8101	1.7769	1.7622		3.3017	2.9453	4.1195	3.9413	4.7075	4.1195
H8	2.4875	2.9392	1.0941	2.9392	2.6291	3.9413	3.3017		1.7769	1.7769	2.6291	3.3017	3.9413
H9	2.4508	3.0869	1.0918	3.8101	3.3017	4.1195	2.9453	1.7769		1.7622	3.9413	4.1195	4.7075
H10	2.4508	3.8101	1.0918	3.0869	3.9413	4.7075	4.1195	1.7769	1.7622		3.3017	2.9453	4.1195
H11	2.4875	2.9392	2.9392	1.0941	2.6291	3.3017	3.9413	2.6291	3.9413	3.3017		1.7769	1.7769
H12	2.4508	3.8101	3.0869	1.0918	3.9413	4.1195	4.7075	3.3017	4.1195	2.9453	1.7769		1.7622
H13	2.4508	3.0869	3.8101	1.0918	3.3017	2.9453	4.1195	3.9413	4.7075	4.1195	1.7769	1.7622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.277	P1	C2	H6	109.660
P1	C2	H7	109.660	P1	C3	H8	112.277
P1	C3	H9	109.660	P1	C3	H10	109.659
P1	C4	H11	112.277	P1	C4	H12	109.659
P1	C4	H13	109.660	C2	P1	C3	99.276
C2	P1	C4	99.276	C3	P1	C4	99.276
H5	C2	H6	108.757	H5	C2	H7	108.757
H6	C2	H7	107.613	H8	C3	H9	108.757
H8	C3	H10	108.757	H9	C3	H10	107.613
H11	C4	H12	108.757	H11	C4	H13	108.757
H12	C4	H13	107.613

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for P(CH3)3 (trimethylphosphine)

using model chemistry: B2PLYP=FULL/6-31+G**

States and conformations

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