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	hartrees
Energy at 0K	-460.254342
Energy at 298.15K	-460.263983
HF Energy	-459.588881
Nuclear repulsion energy	175.637885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3128	2999
2	A₁	3030	2906
3	A₁	1473	1412
4	A₁	1328	1274
5	A₁	966	926
6	A₁	652	626
7	A₁	290	278
8	A₂	3140	3011
9	A₂	1451	1392
10	A₂	781	749
11	A₂	174	167
12	E	3140	3012
12	E	3140	3011
13	E	3127	2999
13	E	3127	2999
14	E	3032	2908
14	E	3032	2907
15	E	1465	1405
15	E	1465	1405
16	E	1454	1394
16	E	1454	1394
17	E	1302	1249
17	E	1302	1249
18	E	949	910
18	E	949	910
19	E	835	801
19	E	835	801
20	E	710	681
20	E	710	681
21	E	250	240
21	E	249	239
22	E	202	194
22	E	202	194

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.621
C2	0.000	1.633	-0.287
C3	1.414	-0.817	-0.287
C4	-1.414	-0.817	-0.287
H5	0.000	1.496	-1.386
H6	-0.893	2.218	0.001
H7	0.893	2.218	0.001
H8	1.296	-0.748	-1.386
H9	2.367	-0.335	0.001
H10	1.474	-1.883	0.001
H11	-1.296	-0.748	-1.386
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		1.8682	1.8682	1.8682	2.5025	2.4700	2.4700	2.5025	2.4700	2.4700	2.5025	2.4700	2.4700
C2	1.8682		2.8288	2.8288	1.1075	1.1057	1.1057	2.9251	3.0923	3.8232	2.9251	3.8232	3.0923
C3	1.8682	2.8288		2.8288	2.9251	3.8232	3.0923	1.1075	1.1057	1.1057	2.9251	3.0923	3.8232
C4	1.8682	2.8288	2.8288		2.9251	3.0923	3.8232	2.9251	3.8232	3.0923	1.1075	1.1057	1.1057
H5	2.5025	1.1075	2.9251	2.9251		1.8004	1.8004	2.5911	3.2986	3.9383	2.5911	3.9383	3.2986
H6	2.4700	1.1057	3.8232	3.0923	1.8004		1.7867	3.9383	4.1414	4.7348	3.2986	4.1414	2.9481
H7	2.4700	1.1057	3.0923	3.8232	1.8004	1.7867		3.2986	2.9481	4.1414	3.9383	4.7348	4.1414
H8	2.5025	2.9251	1.1075	2.9251	2.5911	3.9383	3.2986		1.8004	1.8004	2.5911	3.2986	3.9383
H9	2.4700	3.0923	1.1057	3.8232	3.2986	4.1414	2.9481	1.8004		1.7867	3.9383	4.1414	4.7348
H10	2.4700	3.8232	1.1057	3.0923	3.9383	4.7348	4.1414	1.8004	1.7867		3.2986	2.9481	4.1414
H11	2.5025	2.9251	2.9251	1.1075	2.5911	3.2986	3.9383	2.5911	3.9383	3.2986		1.8004	1.8004
H12	2.4700	3.8232	3.0923	1.1057	3.9383	4.1414	4.7348	3.2986	4.1414	2.9481	1.8004		1.7867
H13	2.4700	3.0923	3.8232	1.1057	3.2986	2.9481	4.1414	3.9383	4.7348	4.1414	1.8004	1.7867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.930	P1	C2	H6	109.633
P1	C2	H7	109.633	P1	C3	H8	111.930
P1	C3	H9	109.633	P1	C3	H10	109.633
P1	C4	H11	111.930	P1	C4	H12	109.633
P1	C4	H13	109.633	C2	P1	C3	98.417
C2	P1	C4	98.417	C3	P1	C4	98.417
H5	C2	H6	108.877	H5	C2	H7	108.877
H6	C2	H7	107.795	H8	C3	H9	108.877
H8	C3	H10	108.877	H9	C3	H10	107.795
H11	C4	H12	108.877	H11	C4	H13	108.877
H12	C4	H13	107.795

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

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

States and conformations

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