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	hartrees
Energy at 0K	-457.300599
Energy at 298.15K	-457.310717
HF Energy	-457.300599
Nuclear repulsion energy	177.536234

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3245	2929	43.81
2	A₁	3177	2867	18.08
3	A₁	1656	1495	13.36
4	A₁	1527	1378	8.09
5	A₁	1109	1001	53.45
6	A₁	700	631	0.53
7	A₁	328	296	0.27
8	A₂	3247	2931	0.00
9	A₂	1632	1473	0.00
10	A₂	901	813	0.00
11	A₂	200	180	0.00
12	E	3249	2932	20.18
12	E	3249	2932	20.18
13	E	3242	2927	2.99
13	E	3242	2927	2.99
14	E	3176	2867	18.09
14	E	3176	2867	18.09
15	E	1647	1487	14.29
15	E	1647	1487	14.29
16	E	1637	1478	6.25
16	E	1637	1478	6.25
17	E	1505	1359	16.89
17	E	1505	1359	16.89
18	E	1081	976	29.13
18	E	1081	976	29.13
19	E	954	861	0.83
19	E	954	861	0.83
20	E	759	685	15.67
20	E	759	685	15.67
21	E	276	249	0.16
21	E	276	249	0.16
22	E	225	203	0.01
22	E	225	203	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.598
C2	0.000	1.628	-0.276
C3	1.410	-0.814	-0.276
C4	-1.410	-0.814	-0.276
H5	0.000	1.515	-1.356
H6	-0.877	2.200	0.012
H7	0.877	2.200	0.012
H8	1.312	-0.758	-1.356
H9	2.344	-0.341	0.012
H10	1.467	-1.859	0.012
H11	-1.312	-0.758	-1.356
H12	-1.467	-1.859	0.012
H13	-2.344	-0.341	0.012

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8475	1.8475	1.8475	2.4725	2.4396	2.4396	2.4725	2.4396	2.4396	2.4725	2.4396	2.4396
C2	1.8475		2.8197	2.8197	1.0863	1.0856	1.0856	2.9291	3.0743	3.7941	2.9291	3.7941	3.0743
C3	1.8475	2.8197		2.8197	2.9291	3.7941	3.0743	1.0863	1.0856	1.0856	2.9291	3.0743	3.7941
C4	1.8475	2.8197	2.8197		2.9291	3.0743	3.7941	2.9291	3.7941	3.0743	1.0863	1.0856	1.0856
H5	2.4725	1.0863	2.9291	2.9291		1.7633	1.7633	2.6242	3.2876	3.9255	2.6242	3.9255	3.2876
H6	2.4396	1.0856	3.7941	3.0743	1.7633		1.7533	3.9255	4.1019	4.6872	3.2876	4.1019	2.9339
H7	2.4396	1.0856	3.0743	3.7941	1.7633	1.7533		3.2876	2.9339	4.1019	3.9255	4.6872	4.1019
H8	2.4725	2.9291	1.0863	2.9291	2.6242	3.9255	3.2876		1.7633	1.7633	2.6243	3.2876	3.9255
H9	2.4396	3.0743	1.0856	3.7941	3.2876	4.1019	2.9339	1.7633		1.7533	3.9255	4.1019	4.6872
H10	2.4396	3.7941	1.0856	3.0743	3.9255	4.6872	4.1019	1.7633	1.7533		3.2876	2.9339	4.1019
H11	2.4725	2.9291	2.9291	1.0863	2.6242	3.2876	3.9255	2.6243	3.9255	3.2876		1.7633	1.7633
H12	2.4396	3.7941	3.0743	1.0856	3.9255	4.1019	4.6872	3.2876	4.1019	2.9339	1.7633		1.7533
H13	2.4396	3.0743	3.7941	1.0856	3.2876	2.9339	4.1019	3.9255	4.6872	4.1019	1.7633	1.7533

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.253	P1	C2	H6	109.819
P1	C2	H7	109.819	P1	C3	H8	112.253
P1	C3	H9	109.819	P1	C3	H10	109.819
P1	C4	H11	112.253	P1	C4	H12	109.819
P1	C4	H13	109.819	C2	P1	C3	99.480
C2	P1	C4	99.480	C3	P1	C4	99.480
H5	C2	H6	108.561	H5	C2	H7	108.561
H6	C2	H7	107.709	H8	C3	H9	108.561
H8	C3	H10	108.561	H9	C3	H10	107.709
H11	C4	H12	108.561	H11	C4	H13	108.561
H12	C4	H13	107.709

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

using model chemistry: HF/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	0.759
2	C	-0.877
3	C	-0.877
4	C	-0.877
5	H	0.203
6	H	0.210
7	H	0.210
8	H	0.203
9	H	0.210
10	H	0.210
11	H	0.203
12	H	0.210
13	H	0.210

<r²>	122.683
(<r²>)^1/2	11.076

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

using model chemistry: HF/3-21G*

States and conformations

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