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	hartrees
Energy at 0K	-421.537216
Energy at 298.15K	-421.544958
HF Energy	-421.393745
Nuclear repulsion energy	112.339072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3157	3026	11.97
2	A'	3151	3021	23.38
3	A'	3057	2930	17.04
4	A'	2391	2292	98.25
5	A'	1468	1407	1.36
6	A'	1467	1407	11.19
7	A'	1320	1266	0.51
8	A'	1014	971	26.12
9	A'	962	922	25.56
10	A'	724	694	0.83
11	A'	661	634	2.05
12	A'	255	244	0.17
13	A'	194	186	0.12
14	A"	3157	3026	5.86
15	A"	3153	3022	0.00
16	A"	3059	2932	19.11
17	A"	1460	1399	6.50
18	A"	1454	1394	2.68
19	A"	1303	1249	0.06
20	A"	1030	987	26.76
21	A"	828	794	0.97
22	A"	727	697	3.41
23	A"	705	676	13.10
24	A"	185	177	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.671	0.000
H2	1.368	-0.936	0.000
C3	-0.038	0.532	1.428
C4	-0.038	0.532	-1.428
H5	-1.038	0.985	1.511
H6	-1.038	0.985	-1.511
H7	0.160	-0.012	2.363
H8	0.160	-0.012	-2.363
H9	0.706	1.335	1.316
H10	0.706	1.335	-1.316

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4303	1.8675	1.8675	2.4546	2.4546	2.4611	2.4611	2.5122	2.5122
H2	1.4303		2.4838	2.4838	3.4289	3.4289	2.8095	2.8095	2.7065	2.7065
C3	1.8675	2.4838		2.8558	1.1008	3.1369	1.1003	3.8350	1.1005	2.9540
C4	1.8675	2.4838	2.8558		3.1369	1.1008	3.8350	1.1003	2.9540	1.1005
H5	2.4546	3.4289	1.1008	3.1369		3.0214	1.7769	4.1757	1.7899	3.3398
H6	2.4546	3.4289	3.1369	1.1008	3.0214		4.1757	1.7769	3.3398	1.7899
H7	2.4611	2.8095	1.1003	3.8350	1.7769	4.1757		4.7260	1.7920	3.9557
H8	2.4611	2.8095	3.8350	1.1003	4.1757	1.7769	4.7260		3.9557	1.7920
H9	2.5122	2.7065	1.1005	2.9540	1.7899	3.3398	1.7920	3.9557		2.6314
H10	2.5122	2.7065	2.9540	1.1005	3.3398	1.7899	3.9557	1.7920	2.6314

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.807	P1	C3	H7	109.306
P1	C3	H9	113.095	P1	C4	H6	108.807
P1	C4	H8	109.306	P1	C4	H10	113.095
H2	P1	C3	96.839	H2	P1	C4	96.839
C3	P1	C4	99.742	H5	C3	H7	107.660
H5	C3	H9	108.802	H6	C4	H8	107.660
H6	C4	H10	108.802	H7	C3	H9	109.027
H8	C4	H10	109.027

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B2PLYP=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 CH3PHCH3 (dimethylphosphine)

using model chemistry: B2PLYP=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)