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	hartrees
Energy at 0K	-460.377616
Energy at 298.15K	-460.369946
HF Energy	-459.566846
Nuclear repulsion energy	176.728686

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3259	3259	56.55
2	A₁	3180	3180	23.87
3	A₁	1619	1619	7.66
4	A₁	1489	1489	2.65
5	A₁	1073	1073	41.68
6	A₁	693	693	0.53
7	A₁	311	311	0.42
8	A₂	3266	3266	0.00
9	A₂	1598	1598	0.00
10	A₂	866	866	0.00
11	A₂	198	198	0.00
12	E	3267	3267	26.56
12	E	3267	3267	26.56
13	E	3257	3257	5.28
13	E	3257	3257	5.28
14	E	3178	3178	23.97
14	E	3178	3178	23.97
15	E	1612	1612	9.07
15	E	1612	1612	9.07
16	E	1600	1600	4.59
16	E	1600	1600	4.59
17	E	1465	1465	3.06
17	E	1465	1465	3.06
18	E	1050	1050	24.88
18	E	1050	1050	24.88
19	E	922	922	0.02
19	E	922	922	0.02
20	E	757	757	12.53
20	E	757	757	12.53
21	E	265	265	0.19
21	E	265	265	0.19
22	E	222	222	0.00
22	E	222	222	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.589
C2	0.000	1.642	-0.273
C3	1.422	-0.821	-0.273
C4	-1.422	-0.821	-0.273
H5	0.000	1.546	-1.358
H6	-0.878	2.213	0.024
H7	0.878	2.213	0.024
H8	1.339	-0.773	-1.358
H9	2.356	-0.346	0.024
H10	1.478	-1.867	0.024
H11	-1.339	-0.773	-1.358
H12	-1.478	-1.867	0.024
H13	-2.356	-0.346	0.024

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8548	1.8548	1.8548	2.4864	2.4472	2.4472	2.4864	2.4472	2.4472	2.4864	2.4472	2.4472
C2	1.8548		2.8445	2.8445	1.0893	1.0883	1.0883	2.9671	3.0970	3.8190	2.9671	3.8190	3.0970
C3	1.8548	2.8445		2.8445	2.9671	3.8190	3.0970	1.0893	1.0883	1.0883	2.9671	3.0970	3.8190
C4	1.8548	2.8445	2.8445		2.9671	3.0970	3.8190	2.9671	3.8190	3.0970	1.0893	1.0883	1.0883
H5	2.4864	1.0893	2.9671	2.9671		1.7676	1.7676	2.6778	3.3225	3.9673	2.6778	3.9673	3.3225
H6	2.4472	1.0883	3.8190	3.0970	1.7676		1.7555	3.9673	4.1238	4.7111	3.3225	4.1238	2.9556
H7	2.4472	1.0883	3.0970	3.8190	1.7676	1.7555		3.3225	2.9556	4.1238	3.9673	4.7111	4.1238
H8	2.4864	2.9671	1.0893	2.9671	2.6778	3.9673	3.3225		1.7676	1.7676	2.6778	3.3225	3.9673
H9	2.4472	3.0970	1.0883	3.8190	3.3225	4.1238	2.9556	1.7676		1.7555	3.9673	4.1238	4.7111
H10	2.4472	3.8190	1.0883	3.0970	3.9673	4.7111	4.1238	1.7676	1.7555		3.3225	2.9556	4.1238
H11	2.4864	2.9671	2.9671	1.0893	2.6778	3.3225	3.9673	2.6778	3.9673	3.3225		1.7676	1.7676
H12	2.4472	3.8190	3.0970	1.0883	3.9673	4.1238	4.7111	3.3225	4.1238	2.9556	1.7676		1.7555
H13	2.4472	3.0970	3.8190	1.0883	3.3225	2.9556	4.1238	3.9673	4.7111	4.1238	1.7676	1.7555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	112.630	P1	C2	H6	109.744
P1	C2	H7	109.744	P1	C3	H8	112.630
P1	C3	H9	109.744	P1	C3	H10	109.744
P1	C4	H11	112.630	P1	C4	H12	109.744
P1	C4	H13	109.744	C2	P1	C3	100.131
C2	P1	C4	100.131	C3	P1	C4	100.131
H5	C2	H6	108.529	H5	C2	H7	108.529
H6	C2	H7	107.522	H8	C3	H9	108.529
H8	C3	H10	108.529	H9	C3	H10	107.522
H11	C4	H12	108.529	H11	C4	H13	108.529
H12	C4	H13	107.522

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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