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	hartrees
Energy at 0K	-460.251758
Energy at 298.15K	-460.261411
HF Energy	-459.588967
Nuclear repulsion energy	175.755233

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3137	3027
2	A₁	3036	2930
3	A₁	1475	1423
4	A₁	1330	1283
5	A₁	967	933
6	A₁	656	633
7	A₁	290	280
8	A₂	3150	3040
9	A₂	1453	1402
10	A₂	782	755
11	A₂	175	169
12	E	3150	3041
12	E	3150	3040
13	E	3137	3027
13	E	3137	3027
14	E	3038	2932
14	E	3038	2932
15	E	1467	1416
15	E	1467	1416
16	E	1456	1405
16	E	1456	1405
17	E	1304	1258
17	E	1303	1258
18	E	951	917
18	E	951	917
19	E	837	807
19	E	836	807
20	E	714	689
20	E	713	689
21	E	250	242
21	E	249	241
22	E	203	196
22	E	203	196

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.620
C2	0.000	1.632	-0.286
C3	1.413	-0.816	-0.286
C4	-1.413	-0.816	-0.286
H5	0.000	1.495	-1.385
H6	-0.893	2.217	0.001
H7	0.893	2.217	0.001
H8	1.295	-0.747	-1.385
H9	2.366	-0.335	0.001
H10	1.473	-1.882	0.001
H11	-1.295	-0.747	-1.385
H12	-1.473	-1.882	0.001
H13	-2.366	-0.335	0.001

	P1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
P1		1.8668	1.8668	1.8668	2.5010	2.4686	2.4686	2.5010	2.4686	2.4686	2.5010	2.4686	2.4686
C2	1.8668		2.8266	2.8266	1.1072	1.1053	1.1053	2.9231	3.0902	3.8207	2.9231	3.8207	3.0902
C3	1.8668	2.8266		2.8266	2.9231	3.8207	3.0902	1.1072	1.1053	1.1053	2.9231	3.0902	3.8207
C4	1.8668	2.8266	2.8266		2.9231	3.0902	3.8207	2.9231	3.8207	3.0902	1.1072	1.1053	1.1053
H5	2.5010	1.1072	2.9231	2.9231		1.7997	1.7997	2.5892	3.2966	3.9359	2.5892	3.9359	3.2966
H6	2.4686	1.1053	3.8207	3.0902	1.7997		1.7859	3.9359	4.1390	4.7321	3.2966	4.1390	2.9463
H7	2.4686	1.1053	3.0902	3.8207	1.7997	1.7859		3.2966	2.9463	4.1390	3.9359	4.7321	4.1390
H8	2.5010	2.9231	1.1072	2.9231	2.5892	3.9359	3.2966		1.7997	1.7997	2.5892	3.2966	3.9359
H9	2.4686	3.0902	1.1053	3.8207	3.2966	4.1390	2.9463	1.7997		1.7859	3.9359	4.1390	4.7321
H10	2.4686	3.8207	1.1053	3.0902	3.9359	4.7321	4.1390	1.7997	1.7859		3.2966	2.9463	4.1390
H11	2.5010	2.9231	2.9231	1.1072	2.5892	3.2966	3.9359	2.5892	3.9359	3.2966		1.7997	1.7997
H12	2.4686	3.8207	3.0902	1.1053	3.9359	4.1390	4.7321	3.2966	4.1390	2.9463	1.7997		1.7859
H13	2.4686	3.0902	3.8207	1.1053	3.2966	2.9463	4.1390	3.9359	4.7321	4.1390	1.7997	1.7859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H5	111.938	P1	C2	H6	109.647
P1	C2	H7	109.647	P1	C3	H8	111.938
P1	C3	H9	109.647	P1	C3	H10	109.647
P1	C4	H11	111.938	P1	C4	H12	109.647
P1	C4	H13	109.647	C2	P1	C3	98.416
C2	P1	C4	98.416	C3	P1	C4	98.416
H5	C2	H6	108.867	H5	C2	H7	108.867
H6	C2	H7	107.778	H8	C3	H9	108.867
H8	C3	H10	108.867	H9	C3	H10	107.778
H11	C4	H12	108.867	H11	C4	H13	108.867
H12	C4	H13	107.778

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

using model chemistry: MP4=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: MP4=FULL/cc-pVDZ

States and conformations

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