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	hartrees
Energy at 0K	-460.204475
Energy at 298.15K	-460.214212
HF Energy	-459.608378
Nuclear repulsion energy	176.862217

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3108	2975	43.97
2	A₁	3025	2896	30.17
3	A₁	1516	1451	13.95
4	A₁	1400	1340	5.28
5	A₁	1013	970	45.61
6	A₁	673	644	0.46
7	A₁	301	288	1.27
8	A₂	3119	2986	0.00
9	A₂	1487	1423	0.00
10	A₂	819	784	0.00
11	A₂	156	149	0.00
12	E	3120	2987	18.76
12	E	3120	2987	18.76
13	E	3107	2974	4.77
13	E	3107	2974	4.77
14	E	3025	2896	19.61
14	E	3025	2896	19.61
15	E	1504	1440	13.56
15	E	1504	1440	13.56
16	E	1495	1431	4.20
16	E	1495	1431	4.20
17	E	1373	1315	9.62
17	E	1373	1315	9.62
18	E	990	948	23.48
18	E	990	948	23.48
19	E	874	837	0.28
19	E	874	837	0.28
20	E	729	698	12.20
20	E	729	698	12.20
21	E	259	248	0.25
21	E	259	248	0.25
22	E	202	194	0.02
22	E	202	194	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.608
C2	0.000	1.626	-0.280
C3	1.408	-0.813	-0.280
C4	-1.408	-0.813	-0.280
H5	0.000	1.506	-1.371
H6	-0.883	2.208	0.006
H7	0.883	2.208	0.006
H8	1.304	-0.753	-1.371
H9	2.354	-0.339	0.006
H10	1.471	-1.869	0.006
H11	-1.304	-0.753	-1.371
H12	-1.471	-1.869	0.006
H13	-2.354	-0.339	0.006

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8531	1.8531	1.8531	2.4875	2.4534	2.4534	2.4875	2.4534	2.4534	2.4875	2.4534	2.4534
C2	1.8531		2.8163	2.8163	1.0976	1.0959	1.0959	2.9241	3.0797	3.8026	2.9241	3.8026	3.0797
C3	1.8531	2.8163		2.8163	2.9241	3.8026	3.0797	1.0976	1.0959	1.0959	2.9241	3.0797	3.8026
C4	1.8531	2.8163	2.8163		2.9241	3.0797	3.8026	2.9241	3.8026	3.0797	1.0976	1.0959	1.0959
H5	2.4875	1.0976	2.9241	2.9241		1.7805	1.7805	2.6082	3.2927	3.9306	2.6082	3.9306	3.2927
H6	2.4534	1.0959	3.8026	3.0797	1.7805		1.7666	3.9306	4.1193	4.7079	3.2927	4.1193	2.9413
H7	2.4534	1.0959	3.0797	3.8026	1.7805	1.7666		3.2927	2.9413	4.1193	3.9306	4.7079	4.1193
H8	2.4875	2.9241	1.0976	2.9241	2.6082	3.9306	3.2927		1.7805	1.7805	2.6082	3.2927	3.9306
H9	2.4534	3.0797	1.0959	3.8026	3.2927	4.1193	2.9413	1.7805		1.7666	3.9306	4.1193	4.7079
H10	2.4534	3.8026	1.0959	3.0797	3.9306	4.7079	4.1193	1.7805	1.7666		3.2927	2.9413	4.1193
H11	2.4875	2.9241	2.9241	1.0976	2.6082	3.2927	3.9306	2.6082	3.9306	3.2927		1.7805	1.7805
H12	2.4534	3.8026	3.0797	1.0959	3.9306	4.1193	4.7079	3.2927	4.1193	2.9413	1.7805		1.7666
H13	2.4534	3.0797	3.8026	1.0959	3.2927	2.9413	4.1193	3.9306	4.7079	4.1193	1.7805	1.7666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.379	P1	C2	H6	109.928
P1	C2	H7	109.928	P1	C3	H8	112.379
P1	C3	H9	109.928	P1	C3	H10	109.928
P1	C4	H11	112.379	P1	C4	H12	109.928
P1	C4	H13	109.928	C2	P1	C3	98.910
C2	P1	C4	98.910	C3	P1	C4	98.910
H5	C2	H6	108.526	H5	C2	H7	108.526
H6	C2	H7	107.412	H8	C3	H9	108.526
H8	C3	H10	108.526	H9	C3	H10	107.412
H11	C4	H12	108.526	H11	C4	H13	108.526
H12	C4	H13	107.412

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

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

using model chemistry: QCISD/6-311G*

States and conformations

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