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	hartrees
Energy at 0K	-460.923704
Energy at 298.15K	-460.933233
HF Energy	-460.923704
Nuclear repulsion energy	174.439797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3171	3171	30.68
2	A₁	3072	3072	23.31
3	A₁	1530	1530	18.06
4	A₁	1398	1398	5.92
5	A₁	1024	1024	51.63
6	A₁	641	641	0.24
7	A₁	290	290	0.38
8	A₂	3186	3186	0.00
9	A₂	1505	1505	0.00
10	A₂	852	852	0.00
11	A₂	125	125	0.00
12	E	3186	3186	9.91
12	E	3186	3186	10.06
13	E	3172	3172	3.83
13	E	3172	3172	3.88
14	E	3075	3075	16.85
14	E	3075	3075	16.92
15	E	1522	1522	15.68
15	E	1522	1522	15.75
16	E	1512	1512	7.95
16	E	1512	1512	7.99
17	E	1369	1369	9.57
17	E	1369	1369	9.55
18	E	1007	1007	23.34
18	E	1007	1007	23.21
19	E	892	892	0.39
19	E	892	892	0.36
20	E	705	705	7.60
20	E	705	705	7.59
21	E	248	248	0.11
21	E	248	248	0.11
22	E	169	169	0.03
22	E	169	169	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.631
C2	0.000	1.654	-0.293
C3	1.433	-0.827	-0.293
C4	-1.433	-0.827	-0.293
H5	0.000	1.504	-1.377
H6	-0.886	2.226	-0.009
H7	0.886	2.226	-0.009
H8	1.302	-0.752	-1.377
H9	2.370	-0.345	-0.009
H10	1.484	-1.880	-0.009
H11	-1.302	-0.752	-1.377
H12	-1.484	-1.880	-0.009
H13	-2.370	-0.345	-0.009

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8947	1.8947	1.8947	2.5084	2.4793	2.4793	2.5084	2.4793	2.4793	2.5084	2.4793	2.4793
C2	1.8947		2.8654	2.8654	1.0944	1.0920	1.0920	2.9431	3.1143	3.8441	2.9431	3.8441	3.1143
C3	1.8947	2.8654		2.8654	2.9431	3.8441	3.1143	1.0944	1.0920	1.0920	2.9431	3.1143	3.8441
C4	1.8947	2.8654	2.8654		2.9431	3.1143	3.8441	2.9431	3.8441	3.1143	1.0944	1.0920	1.0920
H5	2.5084	1.0944	2.9431	2.9431		1.7829	1.7829	2.6048	3.3033	3.9406	2.6048	3.9406	3.3033
H6	2.4793	1.0920	3.8441	3.1143	1.7829		1.7724	3.9406	4.1492	4.7410	3.3033	4.1492	2.9686
H7	2.4793	1.0920	3.1143	3.8441	1.7829	1.7724		3.3033	2.9686	4.1492	3.9406	4.7410	4.1492
H8	2.5084	2.9431	1.0944	2.9431	2.6048	3.9406	3.3033		1.7829	1.7829	2.6048	3.3033	3.9406
H9	2.4793	3.1143	1.0920	3.8441	3.3033	4.1492	2.9686	1.7829		1.7724	3.9406	4.1492	4.7410
H10	2.4793	3.8441	1.0920	3.1143	3.9406	4.7410	4.1492	1.7829	1.7724		3.3033	2.9686	4.1492
H11	2.5084	2.9431	2.9431	1.0944	2.6048	3.3033	3.9406	2.6048	3.9406	3.3033		1.7829	1.7829
H12	2.4793	3.8441	3.1143	1.0920	3.9406	4.1492	4.7410	3.3033	4.1492	2.9686	1.7829		1.7724
H13	2.4793	3.1143	3.8441	1.0920	3.3033	2.9686	4.1492	3.9406	4.7410	4.1492	1.7829	1.7724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.272	P1	C2	H6	109.256
P1	C2	H7	109.256	P1	C3	H8	111.272
P1	C3	H9	109.256	P1	C3	H10	109.256
P1	C4	H11	111.272	P1	C4	H12	109.256
P1	C4	H13	109.256	C2	P1	C3	98.256
C2	P1	C4	98.256	C3	P1	C4	98.256
H5	C2	H6	109.260	H5	C2	H7	109.260
H6	C2	H7	108.487	H8	C3	H9	109.261
H8	C3	H10	109.260	H9	C3	H10	108.487
H11	C4	H12	109.260	H11	C4	H13	109.261
H12	C4	H13	108.487

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

using model chemistry: M06-2X/6-31G

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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Number	Element	Mulliken
1	P	0.553
2	C	-0.699
3	C	-0.699
4	C	-0.699
5	H	0.162
6	H	0.176
7	H	0.176
8	H	0.162
9	H	0.176
10	H	0.176
11	H	0.162
12	H	0.176
13	H	0.176

	x	y	z
x	8.633	0.000	0.000
y	0.000	8.607	0.009
z	0.000	0.009	7.024

<r²>	125.631
(<r²>)^1/2	11.209

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

using model chemistry: M06-2X/6-31G

States and conformations

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