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	hartrees
Energy at 0K	-460.209197
Energy at 298.15K	-460.218903
HF Energy	-459.584021
Nuclear repulsion energy	176.821120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3173	2999	48.48
2	A₁	3082	2914	33.93
3	A₁	1512	1429	11.23
4	A₁	1403	1326	3.71
5	A₁	1006	951	27.82
6	A₁	671	634	0.80
7	A₁	291	275	1.67
8	A₂	3186	3012	0.00
9	A₂	1497	1415	0.00
10	A₂	819	774	0.00
11	A₂	161	152	0.00
12	E	3187	3013	19.44
12	E	3187	3013	19.44
13	E	3172	2999	5.06
13	E	3172	2999	5.06
14	E	3083	2914	23.20
14	E	3083	2914	23.20
15	E	1512	1429	9.66
15	E	1512	1429	9.66
16	E	1499	1417	5.53
16	E	1499	1417	5.53
17	E	1378	1302	4.09
17	E	1378	1302	4.09
18	E	992	937	17.58
18	E	992	937	17.58
19	E	871	824	0.01
19	E	871	824	0.01
20	E	732	692	12.96
20	E	732	692	12.96
21	E	255	241	0.37
21	E	255	241	0.37
22	E	197	186	0.00
22	E	197	186	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.607
C2	0.000	1.630	-0.280
C3	1.412	-0.815	-0.280
C4	-1.412	-0.815	-0.280
H5	0.000	1.505	-1.367
H6	-0.881	2.208	0.005
H7	0.881	2.208	0.005
H8	1.303	-0.752	-1.367
H9	2.352	-0.341	0.005
H10	1.471	-1.867	0.005
H11	-1.303	-0.752	-1.367
H12	-1.471	-1.867	0.005
H13	-2.352	-0.341	0.005

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8561	1.8561	1.8561	2.4819	2.4520	2.4520	2.4819	2.4520	2.4520	2.4819	2.4520	2.4520
C2	1.8561		2.8236	2.8236	1.0936	1.0914	1.0914	2.9247	3.0823	3.8047	2.9247	3.8047	3.0823
C3	1.8561	2.8236		2.8236	2.9247	3.8047	3.0823	1.0936	1.0914	1.0914	2.9247	3.0823	3.8047
C4	1.8561	2.8236	2.8236		2.9247	3.0823	3.8047	2.9247	3.8047	3.0823	1.0936	1.0914	1.0914
H5	2.4819	1.0936	2.9247	2.9247		1.7756	1.7756	2.6059	3.2896	3.9260	2.6059	3.9260	3.2896
H6	2.4520	1.0914	3.8047	3.0823	1.7756		1.7620	3.9260	4.1171	4.7048	3.2896	4.1171	2.9429
H7	2.4520	1.0914	3.0823	3.8047	1.7756	1.7620		3.2896	2.9429	4.1171	3.9260	4.7048	4.1171
H8	2.4819	2.9247	1.0936	2.9247	2.6059	3.9260	3.2896		1.7756	1.7756	2.6059	3.2896	3.9260
H9	2.4520	3.0823	1.0914	3.8047	3.2896	4.1171	2.9429	1.7756		1.7620	3.9260	4.1171	4.7048
H10	2.4520	3.8047	1.0914	3.0823	3.9260	4.7048	4.1171	1.7756	1.7620		3.2896	2.9429	4.1171
H11	2.4819	2.9247	2.9247	1.0936	2.6059	3.2896	3.9260	2.6059	3.9260	3.2896		1.7756	1.7756
H12	2.4520	3.8047	3.0823	1.0914	3.9260	4.1171	4.7048	3.2896	4.1171	2.9429	1.7756		1.7620
H13	2.4520	3.0823	3.8047	1.0914	3.2896	2.9429	4.1171	3.9260	4.7048	4.1171	1.7756	1.7620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.966	P1	C2	H6	109.852
P1	C2	H7	109.852	P1	C3	H8	111.966
P1	C3	H9	109.852	P1	C3	H10	109.852
P1	C4	H11	111.966	P1	C4	H12	109.852
P1	C4	H13	109.852	C2	P1	C3	99.036
C2	P1	C4	99.036	C3	P1	C4	99.036
H5	C2	H6	108.710	H5	C2	H7	108.710
H6	C2	H7	107.642	H8	C3	H9	108.710
H8	C3	H10	108.710	H9	C3	H10	107.642
H11	C4	H12	108.710	H11	C4	H13	108.710
H12	C4	H13	107.642

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

using model chemistry: QCISD/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/6-31+G**

States and conformations

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