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	hartrees
Energy at 0K	-460.354916
Energy at 298.15K	-460.364367
HF Energy	-459.629634
Nuclear repulsion energy	176.850162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3173	2962	42.86
2	A₁	3082	2877	28.46
3	A₁	1496	1397	10.47
4	A₁	1381	1290	3.93
5	A₁	994	928	26.50
6	A₁	671	626	0.53
7	A₁	295	276	1.02
8	A₂	3186	2975	0.00
9	A₂	1477	1379	0.00
10	A₂	799	746	0.00
11	A₂	52	49	0.00
12	E	3186	2975	16.70
12	E	3186	2975	16.70
13	E	3173	2963	4.58
13	E	3173	2963	4.58
14	E	3083	2879	18.59
14	E	3083	2879	18.59
15	E	1495	1396	7.49
15	E	1495	1396	7.49
16	E	1476	1378	6.37
16	E	1476	1378	6.37
17	E	1354	1265	3.52
17	E	1354	1265	3.52
18	E	975	910	18.54
18	E	975	910	18.54
19	E	858	801	0.01
19	E	858	801	0.01
20	E	727	679	12.95
20	E	727	679	12.95
21	E	252	235	0.35
21	E	252	235	0.35
22	E	180	168	0.01
22	E	180	168	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.612
C2	0.000	1.629	-0.283
C3	1.411	-0.815	-0.283
C4	-1.411	-0.815	-0.283
H5	0.000	1.495	-1.366
H6	-0.880	2.204	0.002
H7	0.880	2.204	0.002
H8	1.295	-0.748	-1.366
H9	2.348	-0.340	0.002
H10	1.469	-1.864	0.002
H11	-1.295	-0.748	-1.366
H12	-1.469	-1.864	0.002
H13	-2.348	-0.340	0.002

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8593	1.8593	1.8593	2.4794	2.4499	2.4499	2.4794	2.4499	2.4499	2.4794	2.4499	2.4499
C2	1.8593		2.8220	2.8220	1.0904	1.0886	1.0886	2.9149	3.0780	3.7998	2.9149	3.7998	3.0780
C3	1.8593	2.8220		2.8220	2.9149	3.7998	3.0780	1.0904	1.0886	1.0886	2.9149	3.0780	3.7998
C4	1.8593	2.8220	2.8220		2.9149	3.0780	3.7998	2.9149	3.7998	3.0780	1.0904	1.0886	1.0886
H5	2.4794	1.0904	2.9149	2.9149		1.7738	1.7738	2.5895	3.2791	3.9125	2.5895	3.9125	3.2791
H6	2.4499	1.0886	3.7998	3.0780	1.7738		1.7592	3.9125	4.1096	4.6964	3.2791	4.1096	2.9372
H7	2.4499	1.0886	3.0780	3.7998	1.7738	1.7592		3.2791	2.9372	4.1096	3.9125	4.6964	4.1096
H8	2.4794	2.9149	1.0904	2.9149	2.5895	3.9125	3.2791		1.7738	1.7738	2.5895	3.2791	3.9125
H9	2.4499	3.0780	1.0886	3.7998	3.2791	4.1096	2.9372	1.7738		1.7592	3.9125	4.1096	4.6964
H10	2.4499	3.7998	1.0886	3.0780	3.9125	4.6964	4.1096	1.7738	1.7592		3.2791	2.9372	4.1096
H11	2.4794	2.9149	2.9149	1.0904	2.5895	3.2791	3.9125	2.5895	3.9125	3.2791		1.7738	1.7738
H12	2.4499	3.7998	3.0780	1.0886	3.9125	4.1096	4.6964	3.2791	4.1096	2.9372	1.7738		1.7592
H13	2.4499	3.0780	3.7998	1.0886	3.2791	2.9372	4.1096	3.9125	4.6964	4.1096	1.7738	1.7592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.731	P1	C2	H6	109.628
P1	C2	H7	109.628	P1	C3	H8	111.731
P1	C3	H9	109.628	P1	C3	H10	109.628
P1	C4	H11	111.731	P1	C4	H12	109.628
P1	C4	H13	109.628	C2	P1	C3	98.732
C2	P1	C4	98.732	C3	P1	C4	98.732
H5	C2	H6	108.984	H5	C2	H7	108.984
H6	C2	H7	107.799	H8	C3	H9	108.984
H8	C3	H10	108.984	H9	C3	H10	107.799
H11	C4	H12	108.984	H11	C4	H13	108.984
H12	C4	H13	107.799

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

using model chemistry: MP3=FULL/TZVP

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/TZVP

States and conformations

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