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	hartrees
Energy at 0K	-460.227132
Energy at 298.15K	-460.236839
HF Energy	-459.589538
Nuclear repulsion energy	176.054227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3172	2983	36.97
2	A₁	3075	2891	23.00
3	A₁	1486	1397	8.76
4	A₁	1343	1263	4.10
5	A₁	978	919	22.57
6	A₁	666	626	0.25
7	A₁	294	276	0.41
8	A₂	3185	2995	0.00
9	A₂	1464	1377	0.00
10	A₂	790	743	0.00
11	A₂	177	167	0.00
12	E	3186	2996	13.27
12	E	3186	2996	13.27
13	E	3172	2983	3.67
13	E	3172	2983	3.67
14	E	3077	2893	17.88
14	E	3077	2893	17.88
15	E	1479	1391	7.31
15	E	1479	1391	7.31
16	E	1467	1380	4.74
16	E	1467	1380	4.74
17	E	1318	1240	1.34
17	E	1318	1240	1.34
18	E	961	903	19.85
18	E	961	903	19.85
19	E	845	794	0.61
19	E	845	794	0.61
20	E	724	681	12.93
20	E	724	681	12.93
21	E	252	237	0.22
21	E	252	237	0.22
22	E	205	193	0.00
22	E	205	193	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.614
C2	0.000	1.632	-0.284
C3	1.413	-0.816	-0.284
C4	-1.413	-0.816	-0.284
H5	0.000	1.503	-1.380
H6	-0.890	2.213	0.006
H7	0.890	2.213	0.006
H8	1.301	-0.751	-1.380
H9	2.362	-0.336	0.006
H10	1.472	-1.878	0.006
H11	-1.301	-0.751	-1.380
H12	-1.472	-1.878	0.006
H13	-2.362	-0.336	0.006

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8628	1.8628	1.8628	2.4974	2.4620	2.4620	2.4974	2.4620	2.4620	2.4974	2.4620	2.4620
C2	1.8628		2.8268	2.8268	1.1042	1.1023	1.1023	2.9286	3.0879	3.8170	2.9286	3.8170	3.0879
C3	1.8628	2.8268		2.8268	2.9286	3.8170	3.0879	1.1042	1.1023	1.1023	2.9286	3.0879	3.8170
C4	1.8628	2.8268	2.8268		2.9286	3.0879	3.8170	2.9286	3.8170	3.0879	1.1042	1.1023	1.1023
H5	2.4974	1.1042	2.9286	2.9286		1.7947	1.7947	2.6028	3.2987	3.9391	2.6028	3.9391	3.2987
H6	2.4620	1.1023	3.8170	3.0879	1.7947		1.7809	3.9391	4.1323	4.7242	3.2987	4.1323	2.9432
H7	2.4620	1.1023	3.0879	3.8170	1.7947	1.7809		3.2987	2.9432	4.1323	3.9391	4.7242	4.1323
H8	2.4974	2.9286	1.1042	2.9286	2.6028	3.9391	3.2987		1.7947	1.7947	2.6028	3.2987	3.9391
H9	2.4620	3.0879	1.1023	3.8170	3.2987	4.1323	2.9432	1.7947		1.7809	3.9391	4.1323	4.7242
H10	2.4620	3.8170	1.1023	3.0879	3.9391	4.7242	4.1323	1.7947	1.7809		3.2987	2.9432	4.1323
H11	2.4974	2.9286	2.9286	1.1042	2.6028	3.2987	3.9391	2.6028	3.9391	3.2987		1.7947	1.7947
H12	2.4620	3.8170	3.0879	1.1023	3.9391	4.1323	4.7242	3.2987	4.1323	2.9432	1.7947		1.7809
H13	2.4620	3.0879	3.8170	1.1023	3.2987	2.9432	4.1323	3.9391	4.7242	4.1323	1.7947	1.7809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.096	P1	C2	H6	109.584
P1	C2	H7	109.584	P1	C3	H8	112.096
P1	C3	H9	109.584	P1	C3	H10	109.584
P1	C4	H11	112.096	P1	C4	H12	109.584
P1	C4	H13	109.584	C2	P1	C3	98.706
C2	P1	C4	98.706	C3	P1	C4	98.706
H5	C2	H6	108.853	H5	C2	H7	108.853
H6	C2	H7	107.769	H8	C3	H9	108.853
H8	C3	H10	108.853	H9	C3	H10	107.769
H11	C4	H12	108.853	H11	C4	H13	108.853
H12	C4	H13	107.769

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

using model chemistry: MP3=FULL/cc-pVDZ

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: MP3=FULL/cc-pVDZ

States and conformations

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