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	hartrees
Energy at 0K	-460.234827
Energy at 298.15K	-460.244524
HF Energy	-459.589279
Nuclear repulsion energy	175.875428

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3146	3146	40.38
2	A₁	3051	3051	22.30
3	A₁	1483	1483	8.07
4	A₁	1342	1342	3.71
5	A₁	976	976	22.06
6	A₁	661	661	0.27
7	A₁	294	294	0.42
8	A₂	3156	3156	0.00
9	A₂	1462	1462	0.00
10	A₂	790	790	0.00
11	A₂	177	177	0.00
12	E	3157	3157	15.56
12	E	3157	3157	15.56
13	E	3145	3145	4.07
13	E	3145	3145	4.07
14	E	3052	3052	20.40
14	E	3052	3052	20.40
15	E	1476	1476	6.68
15	E	1476	1476	6.68
16	E	1464	1464	4.55
16	E	1464	1464	4.55
17	E	1318	1318	0.86
17	E	1318	1318	0.86
18	E	959	959	19.28
18	E	959	959	19.28
19	E	843	843	0.51
19	E	843	843	0.51
20	E	720	720	12.67
20	E	720	720	12.67
21	E	252	252	0.22
21	E	252	252	0.22
22	E	205	205	0.00
22	E	205	205	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.616
C2	0.000	1.633	-0.284
C3	1.414	-0.816	-0.284
C4	-1.414	-0.816	-0.284
H5	0.000	1.503	-1.383
H6	-0.892	2.216	0.005
H7	0.892	2.216	0.005
H8	1.302	-0.752	-1.383
H9	2.365	-0.336	0.005
H10	1.473	-1.880	0.005
H11	-1.302	-0.752	-1.383
H12	-1.473	-1.880	0.005
H13	-2.365	-0.336	0.005

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8645	1.8645	1.8645	2.5005	2.4654	2.4654	2.5006	2.4654	2.4654	2.5006	2.4654	2.4654
C2	1.8645		2.8282	2.8282	1.1058	1.1041	1.1041	2.9303	3.0906	3.8205	2.9303	3.8205	3.0906
C3	1.8645	2.8282		2.8282	2.9303	3.8205	3.0906	1.1058	1.1041	1.1041	2.9303	3.0906	3.8205
C4	1.8645	2.8282	2.8282		2.9303	3.0906	3.8205	2.9303	3.8205	3.0906	1.1058	1.1041	1.1041
H5	2.5005	1.1058	2.9303	2.9303		1.7970	1.7970	2.6038	3.3016	3.9427	2.6038	3.9427	3.3016
H6	2.4654	1.1041	3.8205	3.0906	1.7970		1.7835	3.9427	4.1372	4.7298	3.3016	4.1372	2.9463
H7	2.4654	1.1041	3.0906	3.8205	1.7970	1.7835		3.3016	2.9463	4.1372	3.9427	4.7298	4.1372
H8	2.5006	2.9303	1.1058	2.9303	2.6038	3.9427	3.3016		1.7970	1.7970	2.6038	3.3016	3.9427
H9	2.4654	3.0906	1.1041	3.8205	3.3016	4.1372	2.9463	1.7970		1.7835	3.9427	4.1372	4.7298
H10	2.4654	3.8205	1.1041	3.0906	3.9427	4.7298	4.1372	1.7970	1.7835		3.3016	2.9463	4.1372
H11	2.5006	2.9303	2.9303	1.1058	2.6038	3.3016	3.9427	2.6038	3.9427	3.3016		1.7970	1.7970
H12	2.4654	3.8205	3.0906	1.1041	3.9427	4.1372	4.7298	3.3016	4.1372	2.9463	1.7970		1.7835
H13	2.4654	3.0906	3.8205	1.1041	3.3016	2.9463	4.1372	3.9427	4.7298	4.1372	1.7970	1.7835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.136	P1	C2	H6	109.623
P1	C2	H7	109.623	P1	C3	H8	112.136
P1	C3	H9	109.623	P1	C3	H10	109.623
P1	C4	H11	112.136	P1	C4	H12	109.623
P1	C4	H13	109.623	C2	P1	C3	98.654
C2	P1	C4	98.654	C3	P1	C4	98.654
H5	C2	H6	108.809	H5	C2	H7	108.809
H6	C2	H7	107.735	H8	C3	H9	108.809
H8	C3	H10	108.809	H9	C3	H10	107.736
H11	C4	H12	108.809	H11	C4	H13	108.809
H12	C4	H13	107.736

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

using model chemistry: CCSD=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: CCSD=FULL/cc-pVDZ

States and conformations

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