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	hartrees
Energy at 0K	-460.491876
Energy at 298.15K	-460.501663
HF Energy	-459.646809
Nuclear repulsion energy	178.083903

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3132	2970	33.48
2	A₁	3064	2905	26.29
3	A₁	1512	1433	9.37
4	A₁	1362	1291	6.12
5	A₁	985	934	22.88
6	A₁	677	642	0.51
7	A₁	298	282	0.60
8	A₂	3140	2977	0.00
9	A₂	1488	1411	0.00
10	A₂	793	752	0.00
11	A₂	184	175	0.00
12	E	3141	2978	13.93
12	E	3141	2978	13.93
13	E	3131	2969	3.98
13	E	3131	2969	3.98
14	E	3065	2906	14.54
14	E	3065	2906	14.54
15	E	1504	1426	7.52
15	E	1504	1426	7.52
16	E	1493	1416	4.10
16	E	1493	1416	4.10
17	E	1339	1270	3.60
17	E	1339	1270	3.60
18	E	969	919	19.24
18	E	969	919	19.24
19	E	848	804	0.32
19	E	848	804	0.32
20	E	735	697	13.21
20	E	735	697	13.21
21	E	256	242	0.22
21	E	256	242	0.22
22	E	210	199	0.00
22	E	210	199	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.607
C2	0.000	1.616	-0.281
C3	1.399	-0.808	-0.281
C4	-1.399	-0.808	-0.281
H5	0.000	1.482	-1.360
H6	-0.878	2.189	0.004
H7	0.878	2.189	0.004
H8	1.283	-0.741	-1.360
H9	2.335	-0.334	0.004
H10	1.457	-1.855	0.004
H11	-1.283	-0.741	-1.360
H12	-1.457	-1.855	0.004
H13	-2.335	-0.334	0.004

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8436	1.8436	1.8436	2.4627	2.4343	2.4343	2.4627	2.4343	2.4343	2.4627	2.4343	2.4343
C2	1.8436		2.7989	2.7989	1.0879	1.0862	1.0862	2.8924	3.0553	3.7747	2.8924	3.7747	3.0553
C3	1.8436	2.7989		2.7989	2.8924	3.7747	3.0553	1.0879	1.0862	1.0862	2.8924	3.0553	3.7747
C4	1.8436	2.7989	2.7989		2.8924	3.0553	3.7747	2.8924	3.7747	3.0553	1.0879	1.0862	1.0862
H5	2.4627	1.0879	2.8924	2.8924		1.7696	1.7696	2.5662	3.2570	3.8876	2.5662	3.8876	3.2570
H6	2.4343	1.0862	3.7747	3.0553	1.7696		1.7556	3.8876	4.0849	4.6692	3.2570	4.0849	2.9136
H7	2.4343	1.0862	3.0553	3.7747	1.7696	1.7556		3.2570	2.9136	4.0849	3.8876	4.6692	4.0849
H8	2.4627	2.8924	1.0879	2.8924	2.5662	3.8876	3.2570		1.7696	1.7696	2.5662	3.2570	3.8876
H9	2.4343	3.0553	1.0862	3.7747	3.2570	4.0849	2.9136	1.7696		1.7556	3.8876	4.0849	4.6692
H10	2.4343	3.7747	1.0862	3.0553	3.8876	4.6692	4.0849	1.7696	1.7556		3.2570	2.9136	4.0849
H11	2.4627	2.8924	2.8924	1.0879	2.5662	3.2570	3.8876	2.5662	3.8876	3.2570		1.7696	1.7696
H12	2.4343	3.7747	3.0553	1.0862	3.8876	4.0849	4.6692	3.2570	4.0849	2.9136	1.7696		1.7556
H13	2.4343	3.0553	3.7747	1.0862	3.2570	2.9136	4.0849	3.8876	4.6692	4.0849	1.7696	1.7556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.686	P1	C2	H6	109.655
P1	C2	H7	109.655	P1	C3	H8	111.686
P1	C3	H9	109.655	P1	C3	H10	109.655
P1	C4	H11	111.686	P1	C4	H12	109.655
P1	C4	H13	109.655	C2	P1	C3	98.763
C2	P1	C4	98.763	C3	P1	C4	98.763
H5	C2	H6	108.963	H5	C2	H7	108.963
H6	C2	H7	107.834	H8	C3	H9	108.963
H8	C3	H10	108.963	H9	C3	H10	107.834
H11	C4	H12	108.963	H11	C4	H13	108.963
H12	C4	H13	107.834

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

using model chemistry: CCSD=FULL/cc-pVTZ

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-pVTZ

States and conformations

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