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	hartrees
Energy at 0K	-536.782490
Energy at 298.15K	-536.787925
Nuclear repulsion energy	100.597992

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3019	17.19
2	A'	3148	3005	0.05
3	A'	3078	2939	8.30
4	A'	1566	1495	6.71
5	A'	1539	1469	5.21
6	A'	1472	1405	14.58
7	A'	1330	1270	36.27
8	A'	1111	1061	4.50
9	A'	1002	956	25.98
10	A'	625	596	32.98
11	A'	330	315	4.30
12	A"	3232	3085	5.91
13	A"	3177	3033	4.79
14	A"	1551	1481	11.76
15	A"	1310	1251	1.43
16	A"	1084	1035	0.70
17	A"	816	779	7.58
18	A"	261	249	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	1.505	0.704	0.000
C2	0.000	0.873	0.000
H3	1.980	1.693	0.000
H4	1.832	0.159	0.888
H5	1.832	0.159	-0.888
Cl6	-0.819	-0.835	0.000
H7	-0.378	1.360	0.897
H8	-0.378	1.360	-0.897

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5145	1.0967	1.0925	1.0925	2.7874	2.1863	2.1863
C2	1.5145		2.1432	2.1577	2.1577	1.8936	1.0882	1.0882
H3	1.0967	2.1432		1.7784	1.7784	3.7713	2.5447	2.5447
H4	1.0925	2.1577	1.7784		1.7769	2.9676	2.5154	3.0844
H5	1.0925	2.1577	1.7784	1.7769		2.9676	3.0844	2.5154
Cl6	2.7874	1.8936	3.7713	2.9676	2.9676		2.4112	2.4112
H7	2.1863	1.0882	2.5447	2.5154	3.0844	2.4112		1.7935
H8	2.1863	1.0882	2.5447	3.0844	2.5154	2.4112	1.7935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.244	C1	C2	H7	113.266
C1	C2	H8	113.266	C2	C1	H3	109.280
C2	C1	H4	110.682	C2	C1	H5	110.682
H3	C1	H4	108.659	H3	C1	H5	108.659
H4	C1	H5	108.829	Cl6	C2	H7	104.672
Cl6	C2	H8	104.672	H7	C2	H8	110.978

All results from a given calculation for CH₃CH₂Cl (Ethyl chloride)

using model chemistry: mPW1PW91/3-21G

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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Number	Element	Mulliken
1	C	-0.632
2	C	-0.592
3	H	0.233
4	H	0.246
5	H	0.246
6	Cl	-0.062
7	H	0.280
8	H	0.280

	x	y	z	Total
	1.443	2.349	0.000	2.757
CHELPG
AIM
ESP

<r²>	81.541
(<r²>)^1/2	9.030

All results from a given calculation for CH3CH2Cl (Ethyl chloride)

using model chemistry: mPW1PW91/3-21G

States and conformations

All results from a given calculation for CH₃CH₂Cl (Ethyl chloride)