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	hartrees
Energy at 0K	-419.297921
Energy at 298.15K	-419.305653
HF Energy	-419.211709
Nuclear repulsion energy	110.588193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3024	10.85
2	A'	3174	3021	19.59
3	A'	3087	2939	15.50
4	A'	2228	2121	112.06
5	A'	1569	1493	8.17
6	A'	1564	1489	14.84
7	A'	1410	1342	1.07
8	A'	1057	1006	31.36
9	A'	1015	966	40.85
10	A'	739	703	3.58
11	A'	623	593	0.71
12	A'	249	237	0.20
13	A'	181	172	0.10
14	A"	3176	3024	3.55
15	A"	3174	3021	2.31
16	A"	3089	2941	15.53
17	A"	1557	1483	14.90
18	A"	1554	1480	0.04
19	A"	1391	1324	1.13
20	A"	1058	1007	25.73
21	A"	891	848	1.11
22	A"	761	725	0.31
23	A"	670	637	7.00
24	A"	174	166	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	-0.040	-0.697	0.000
H2	1.386	-0.935	0.000
C3	-0.040	0.555	1.455
C4	-0.040	0.555	-1.455
H5	-1.037	0.992	1.534
H6	-1.037	0.992	-1.534
H7	0.183	0.020	2.380
H8	0.183	0.020	-2.380
H9	0.695	1.348	1.304
H10	0.695	1.348	-1.304

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4457	1.9192	1.9192	2.4899	2.4899	2.4956	2.4956	2.5341	2.5341
H2	1.4457		2.5241	2.5241	3.4553	3.4553	2.8329	2.8329	2.7189	2.7189
C3	1.9192	2.5241		2.9099	1.0915	3.1812	1.0916	3.8785	1.0918	2.9631
C4	1.9192	2.5241	2.9099		3.1812	1.0915	3.8785	1.0916	2.9631	1.0918
H5	2.4899	3.4553	1.0915	3.1812		3.0684	1.7741	4.2135	1.7830	3.3437
H6	2.4899	3.4553	3.1812	1.0915	3.0684		4.2135	1.7741	3.3437	1.7830
H7	2.4956	2.8329	1.0916	3.8785	1.7741	4.2135		4.7601	1.7846	3.9493
H8	2.4956	2.8329	3.8785	1.0916	4.2135	1.7741	4.7601		3.9493	1.7846
H9	2.5341	2.7189	1.0918	2.9631	1.7830	3.3437	1.7846	3.9493		2.6076
H10	2.5341	2.7189	2.9631	1.0918	3.3437	1.7830	3.9493	1.7846	2.6076

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.436	P1	C3	H7	108.840
P1	C3	H9	111.649	P1	C4	H6	108.436
P1	C4	H8	108.840	P1	C4	H10	111.649
H2	P1	C3	96.183	H2	P1	C4	96.183
C3	P1	C4	98.590	H5	C3	H7	108.718
H5	C3	H9	109.500	H6	C4	H8	108.718
H6	C4	H10	109.500	H7	C3	H9	109.642
H8	C4	H10	109.642

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B2PLYP=FULL/3-21G

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/3-21G

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)