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	hartrees
Energy at 0K	-460.128405
Energy at 298.15K	-460.138151
HF Energy	-459.566443
Nuclear repulsion energy	176.420703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3139	2989	41.89
2	A₁	3055	2909	23.19
3	A₁	1532	1459	8.98
4	A₁	1410	1343	3.34
5	A₁	1020	972	41.90
6	A₁	671	639	0.47
7	A₁	295	281	0.41
8	A₂	3151	3001	0.00
9	A₂	1510	1438	0.00
10	A₂	830	791	0.00
11	A₂	175	167	0.00
12	E	3152	3001	18.15
12	E	3152	3001	18.15
13	E	3138	2988	4.76
13	E	3138	2988	4.76
14	E	3055	2910	15.92
14	E	3055	2910	15.92
15	E	1525	1452	9.66
15	E	1525	1452	9.66
16	E	1514	1441	4.89
16	E	1514	1441	4.89
17	E	1387	1321	4.55
17	E	1387	1321	4.55
18	E	1001	954	22.81
18	E	1001	954	22.81
19	E	883	841	0.31
19	E	883	841	0.31
20	E	733	698	11.12
20	E	733	698	11.12
21	E	254	242	0.16
21	E	254	242	0.16
22	E	205	195	0.01
22	E	205	195	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.605
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	-1.371
H6	-0.885	2.213	0.010
H7	0.885	2.213	0.010
H8	1.315	-0.759	-1.371
H9	2.359	-0.340	0.010
H10	1.474	-1.873	0.010
H11	-1.315	-0.759	-1.371
H12	-1.474	-1.873	0.010
H13	-2.359	-0.340	0.010

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8576	1.8576	1.8576	2.4921	2.4566	2.4566	2.4921	2.4566	2.4566	2.4921	2.4566	2.4566
C2	1.8576		2.8299	2.8299	1.0985	1.0968	1.0968	2.9408	3.0895	3.8152	2.9408	3.8152	3.0895
C3	1.8576	2.8299		2.8299	2.9408	3.8152	3.0895	1.0985	1.0968	1.0968	2.9408	3.0895	3.8152
C4	1.8576	2.8299	2.8299		2.9408	3.0895	3.8152	2.9408	3.8152	3.0895	1.0985	1.0968	1.0968
H5	2.4921	1.0985	2.9408	2.9408		1.7820	1.7820	2.6296	3.3056	3.9476	2.6296	3.9476	3.3056
H6	2.4566	1.0968	3.8152	3.0895	1.7820		1.7707	3.9476	4.1284	4.7184	3.3056	4.1284	2.9477
H7	2.4566	1.0968	3.0895	3.8152	1.7820	1.7707		3.3056	2.9477	4.1284	3.9476	4.7184	4.1284
H8	2.4921	2.9408	1.0985	2.9408	2.6296	3.9476	3.3056		1.7820	1.7820	2.6296	3.3056	3.9476
H9	2.4566	3.0895	1.0968	3.8152	3.3056	4.1284	2.9477	1.7820		1.7707	3.9476	4.1284	4.7184
H10	2.4566	3.8152	1.0968	3.0895	3.9476	4.7184	4.1284	1.7820	1.7707		3.3056	2.9477	4.1284
H11	2.4921	2.9408	2.9408	1.0985	2.6296	3.3056	3.9476	2.6296	3.9476	3.3056		1.7820	1.7820
H12	2.4566	3.8152	3.0895	1.0968	3.9476	4.1284	4.7184	3.3056	4.1284	2.9477	1.7820		1.7707
H13	2.4566	3.0895	3.8152	1.0968	3.3056	2.9477	4.1284	3.9476	4.7184	4.1284	1.7820	1.7707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.370	P1	C2	H6	109.813
P1	C2	H7	109.813	P1	C3	H8	112.370
P1	C3	H9	109.813	P1	C3	H10	109.813
P1	C4	H11	112.370	P1	C4	H12	109.813
P1	C4	H13	109.813	C2	P1	C3	99.230
C2	P1	C4	99.230	C3	P1	C4	99.230
H5	C2	H6	108.534	H5	C2	H7	108.534
H6	C2	H7	107.650	H8	C3	H9	108.534
H8	C3	H10	108.534	H9	C3	H10	107.650
H11	C4	H12	108.534	H11	C4	H13	108.534
H12	C4	H13	107.650

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

using model chemistry: QCISD/6-31G*

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/6-31G*

States and conformations

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