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	hartrees
Energy at 0K	-460.253533
Energy at 298.15K	-460.263170
HF Energy	-459.595847
Nuclear repulsion energy	175.459338

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3109	3011	42.58
2	A₁	3020	2925	30.58
3	A₁	1472	1426	7.63
4	A₁	1329	1288	3.60
5	A₁	968	938	20.56
6	A₁	651	630	0.63
7	A₁	288	279	0.98
8	A₂	3123	3025	0.00
9	A₂	1447	1402	0.00
10	A₂	785	761	0.00
11	A₂	164	159	0.00
12	E	3124	3026	18.98
12	E	3124	3026	18.98
13	E	3108	3010	5.57
13	E	3108	3010	5.57
14	E	3020	2926	20.09
14	E	3020	2926	20.09
15	E	1462	1416	7.00
15	E	1462	1416	7.00
16	E	1451	1406	2.79
16	E	1451	1406	2.79
17	E	1306	1265	0.98
17	E	1306	1265	0.98
18	E	954	924	15.89
18	E	954	924	15.89
19	E	838	812	0.09
19	E	838	812	0.09
20	E	709	687	11.25
20	E	709	687	11.25
21	E	248	240	0.21
21	E	248	240	0.21
22	E	203	196	0.00
22	E	203	196	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.620
C2	0.000	1.637	-0.286
C3	1.418	-0.819	-0.286
C4	-1.418	-0.819	-0.286
H5	0.000	1.498	-1.383
H6	-0.892	2.221	0.000
H7	0.892	2.221	0.000
H8	1.298	-0.749	-1.383
H9	2.370	-0.338	0.000
H10	1.477	-1.883	0.000
H11	-1.298	-0.749	-1.383
H12	-1.477	-1.883	0.000
H13	-2.370	-0.338	0.000

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8713	1.8713	1.8713	2.5012	2.4725	2.4725	2.5012	2.4725	2.4725	2.5012	2.4725	2.4725
C2	1.8713		2.8361	2.8361	1.1058	1.1039	1.1039	2.9296	3.0981	3.8288	2.9296	3.8288	3.0981
C3	1.8713	2.8361		2.8361	2.9296	3.8288	3.0981	1.1058	1.1039	1.1039	2.9296	3.0981	3.8288
C4	1.8713	2.8361	2.8361		2.9296	3.0981	3.8288	2.9296	3.8288	3.0981	1.1058	1.1039	1.1039
H5	2.5012	1.1058	2.9296	2.9296		1.7976	1.7976	2.5950	3.3013	3.9408	2.5950	3.9408	3.3013
H6	2.4725	1.1039	3.8288	3.0981	1.7976		1.7845	3.9408	4.1457	4.7392	3.3013	4.1457	2.9547
H7	2.4725	1.1039	3.0981	3.8288	1.7976	1.7845		3.3013	2.9547	4.1457	3.9408	4.7392	4.1457
H8	2.5012	2.9296	1.1058	2.9296	2.5950	3.9408	3.3013		1.7976	1.7976	2.5950	3.3013	3.9408
H9	2.4725	3.0981	1.1039	3.8288	3.3013	4.1457	2.9547	1.7976		1.7845	3.9408	4.1457	4.7392
H10	2.4725	3.8288	1.1039	3.0981	3.9408	4.7392	4.1457	1.7976	1.7845		3.3013	2.9547	4.1457
H11	2.5012	2.9296	2.9296	1.1058	2.5950	3.3013	3.9408	2.5950	3.9408	3.3013		1.7976	1.7976
H12	2.4725	3.8288	3.0981	1.1039	3.9408	4.1457	4.7392	3.3013	4.1457	2.9547	1.7976		1.7845
H13	2.4725	3.0981	3.8288	1.1039	3.3013	2.9547	4.1457	3.9408	4.7392	4.1457	1.7976	1.7845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.718	P1	C2	H6	109.704
P1	C2	H7	109.704	P1	C3	H8	111.718
P1	C3	H9	109.704	P1	C3	H10	109.703
P1	C4	H11	111.718	P1	C4	H12	109.703
P1	C4	H13	109.704	C2	P1	C3	98.543
C2	P1	C4	98.543	C3	P1	C4	98.543
H5	C2	H6	108.884	H5	C2	H7	108.884
H6	C2	H7	107.860	H8	C3	H9	108.884
H8	C3	H10	108.884	H9	C3	H10	107.860
H11	C4	H12	108.884	H11	C4	H13	108.884
H12	C4	H13	107.860

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

using model chemistry: QCISD/aug-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: QCISD/aug-cc-pVDZ

States and conformations

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