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	hartrees
Energy at 0K	-460.254060
Energy at 298.15K	-460.263703
HF Energy	-459.588894
Nuclear repulsion energy	175.644826

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3128	3013
2	A₁	3031	2920
3	A₁	1473	1419
4	A₁	1328	1279
5	A₁	966	931
6	A₁	653	629
7	A₁	290	280
8	A₂	3140	3025
9	A₂	1451	1398
10	A₂	781	753
11	A₂	174	168
12	E	3141	3025
12	E	3141	3025
13	E	3128	3013
13	E	3128	3013
14	E	3033	2921
14	E	3033	2921
15	E	1465	1411
15	E	1465	1411
16	E	1454	1401
16	E	1454	1400
17	E	1303	1255
17	E	1303	1255
18	E	950	915
18	E	950	915
19	E	835	805
19	E	835	804
20	E	711	684
20	E	710	684
21	E	250	241
21	E	249	240
22	E	202	195
22	E	202	195

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.620
C2	0.000	1.633	-0.286
C3	1.414	-0.817	-0.286
C4	-1.414	-0.817	-0.286
H5	0.000	1.496	-1.385
H6	-0.893	2.218	0.001
H7	0.893	2.218	0.001
H8	1.296	-0.748	-1.385
H9	2.367	-0.335	0.001
H10	1.474	-1.883	0.001
H11	-1.296	-0.748	-1.385
H12	-1.474	-1.883	0.001
H13	-2.367	-0.335	0.001

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8681	1.8681	1.8681	2.5024	2.4699	2.4699	2.5024	2.4699	2.4699	2.5024	2.4699	2.4699
C2	1.8681		2.8288	2.8288	1.1075	1.1057	1.1057	2.9252	3.0922	3.8231	2.9252	3.8231	3.0922
C3	1.8681	2.8288		2.8288	2.9252	3.8231	3.0922	1.1075	1.1057	1.1057	2.9252	3.0922	3.8231
C4	1.8681	2.8288	2.8288		2.9252	3.0922	3.8231	2.9252	3.8231	3.0922	1.1075	1.1057	1.1057
H5	2.5024	1.1075	2.9252	2.9252		1.8003	1.8003	2.5914	3.2986	3.9384	2.5914	3.9384	3.2986
H6	2.4699	1.1057	3.8231	3.0922	1.8003		1.7866	3.9384	4.1412	4.7347	3.2986	4.1412	2.9480
H7	2.4699	1.1057	3.0922	3.8231	1.8003	1.7866		3.2986	2.9480	4.1412	3.9384	4.7347	4.1412
H8	2.5024	2.9252	1.1075	2.9252	2.5914	3.9384	3.2986		1.8003	1.8003	2.5914	3.2986	3.9384
H9	2.4699	3.0922	1.1057	3.8231	3.2986	4.1412	2.9480	1.8003		1.7866	3.9384	4.1412	4.7347
H10	2.4699	3.8231	1.1057	3.0922	3.9384	4.7347	4.1412	1.8003	1.7866		3.2986	2.9480	4.1412
H11	2.5024	2.9252	2.9252	1.1075	2.5914	3.2986	3.9384	2.5914	3.9384	3.2986		1.8003	1.8003
H12	2.4699	3.8231	3.0922	1.1057	3.9384	4.1412	4.7347	3.2986	4.1412	2.9480	1.8003		1.7866
H13	2.4699	3.0922	3.8231	1.1057	3.2986	2.9480	4.1412	3.9384	4.7347	4.1412	1.8003	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.935	P1	C2	H6	109.632
P1	C2	H7	109.632	P1	C3	H8	111.935
P1	C3	H9	109.632	P1	C3	H10	109.632
P1	C4	H11	111.935	P1	C4	H12	109.632
P1	C4	H13	109.632	C2	P1	C3	98.422
C2	P1	C4	98.422	C3	P1	C4	98.422
H5	C2	H6	108.877	H5	C2	H7	108.877
H6	C2	H7	107.793	H8	C3	H9	108.877
H8	C3	H10	108.877	H9	C3	H10	107.793
H11	C4	H12	108.877	H11	C4	H13	108.877
H12	C4	H13	107.793

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

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/cc-pVDZ

States and conformations

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