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	hartrees
Energy at 0K	-460.255550
Energy at 298.15K	-460.265219
HF Energy	-459.583933
Nuclear repulsion energy	176.851733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3160	3160
2	A₁	3066	3066
3	A₁	1502	1502
4	A₁	1391	1391
5	A₁	997	997
6	A₁	664	664
7	A₁	287	287
8	A₂	3176	3176
9	A₂	1488	1488
10	A₂	811	811
11	A₂	161	161
12	E	3176	3176
12	E	3176	3176
13	E	3160	3160
13	E	3160	3160
14	E	3068	3068
14	E	3068	3068
15	E	1503	1503
15	E	1503	1503
16	E	1491	1491
16	E	1490	1490
17	E	1365	1365
17	E	1365	1365
18	E	984	984
18	E	984	984
19	E	864	864
19	E	864	864
20	E	725	725
20	E	725	725
21	E	254	254
21	E	252	252
22	E	196	196
22	E	195	195

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.610
C2	0.000	1.628	-0.281
C3	1.410	-0.814	-0.281
C4	-1.410	-0.814	-0.281
H5	0.000	1.497	-1.367
H6	-0.881	2.207	0.003
H7	0.881	2.207	0.003
H8	1.297	-0.749	-1.367
H9	2.352	-0.340	0.003
H10	1.470	-1.867	0.003
H11	-1.297	-0.749	-1.367
H12	-1.470	-1.867	0.003
H13	-2.352	-0.340	0.003

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8565	1.8565	1.8565	2.4803	2.4525	2.4525	2.4803	2.4525	2.4525	2.4803	2.4525	2.4525
C2	1.8565		2.8206	2.8206	1.0940	1.0916	1.0916	2.9173	3.0799	3.8023	2.9173	3.8023	3.0799
C3	1.8565	2.8206		2.8206	2.9173	3.8023	3.0799	1.0940	1.0916	1.0916	2.9173	3.0799	3.8023
C4	1.8565	2.8206	2.8206		2.9173	3.0799	3.8023	2.9173	3.8023	3.0799	1.0940	1.0916	1.0916
H5	2.4803	1.0940	2.9173	2.9173		1.7769	1.7769	2.5930	3.2836	3.9183	2.5930	3.9183	3.2836
H6	2.4525	1.0916	3.8023	3.0799	1.7769		1.7627	3.9183	4.1156	4.7033	3.2836	4.1156	2.9406
H7	2.4525	1.0916	3.0799	3.8023	1.7769	1.7627		3.2836	2.9406	4.1156	3.9183	4.7033	4.1156
H8	2.4803	2.9173	1.0940	2.9173	2.5930	3.9183	3.2836		1.7769	1.7769	2.5930	3.2836	3.9183
H9	2.4525	3.0799	1.0916	3.8023	3.2836	4.1156	2.9406	1.7769		1.7627	3.9183	4.1156	4.7033
H10	2.4525	3.8023	1.0916	3.0799	3.9183	4.7033	4.1156	1.7769	1.7627		3.2836	2.9406	4.1156
H11	2.4803	2.9173	2.9173	1.0940	2.5930	3.2836	3.9183	2.5930	3.9183	3.2836		1.7769	1.7769
H12	2.4525	3.8023	3.0799	1.0916	3.9183	4.1156	4.7033	3.2836	4.1156	2.9406	1.7769		1.7627
H13	2.4525	3.0799	3.8023	1.0916	3.2836	2.9406	4.1156	3.9183	4.7033	4.1156	1.7769	1.7627

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.800	P1	C2	H6	109.855
P1	C2	H7	109.855	P1	C3	H8	111.800
P1	C3	H9	109.855	P1	C3	H10	109.855
P1	C4	H11	111.800	P1	C4	H12	109.855
P1	C4	H13	109.855	C2	P1	C3	98.866
C2	P1	C4	98.866	C3	P1	C4	98.866
H5	C2	H6	108.776	H5	C2	H7	108.776
H6	C2	H7	107.677	H8	C3	H9	108.776
H8	C3	H10	108.776	H9	C3	H10	107.677
H11	C4	H12	108.776	H11	C4	H13	108.776
H12	C4	H13	107.677

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

using model chemistry: QCISD(T)=FULL/6-31+G**

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(T)=FULL/6-31+G**

States and conformations

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