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	hartrees
Energy at 0K	-539.351632
Energy at 298.15K	-539.357080
Nuclear repulsion energy	102.445993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3141	3010	20.00
2	A'	3104	2975	14.97
3	A'	3059	2932	15.09
4	A'	1510	1447	3.13
5	A'	1499	1437	1.33
6	A'	1421	1362	7.24
7	A'	1329	1273	39.02
8	A'	1098	1052	1.20
9	A'	994	952	22.28
10	A'	680	651	28.61
11	A'	333	319	3.21
12	A"	3175	3043	20.81
13	A"	3152	3021	1.07
14	A"	1493	1431	7.78
15	A"	1281	1227	0.64
16	A"	1086	1041	0.01
17	A"	791	759	4.48
18	A"	267	256	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	1.507	0.670	0.000
C2	0.000	0.812	0.000
H3	1.966	1.666	0.000
H4	1.853	0.133	0.887
H5	1.853	0.133	-0.887
Cl6	-0.823	-0.794	0.000
H7	-0.359	1.338	0.887
H8	-0.359	1.338	-0.887

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5138	1.0962	1.0931	1.0931	2.7525	2.1715	2.1715
C2	1.5138		2.1429	2.1641	2.1641	1.8055	1.0919	1.0919
H3	1.0962	2.1429		1.7745	1.7745	3.7191	2.5095	2.5095
H4	1.0931	2.1641	1.7745		1.7733	2.9683	2.5195	3.0812
H5	1.0931	2.1641	1.7745	1.7733		2.9683	3.0812	2.5195
Cl6	2.7525	1.8055	3.7191	2.9683	2.9683		2.3561	2.3561
H7	2.1715	1.0919	2.5095	2.5195	3.0812	2.3561		1.7739
H8	2.1715	1.0919	2.5095	3.0812	2.5195	2.3561	1.7739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.736	C1	C2	H7	111.875
C1	C2	H8	111.875	C2	C1	H3	109.335
C2	C1	H4	111.199	C2	C1	H5	111.199
H3	C1	H4	108.299	H3	C1	H5	108.299
H4	C1	H5	108.420	Cl6	C2	H7	106.189
Cl6	C2	H8	106.189	H7	C2	H8	108.647

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

using model chemistry: B3PW91/6-31G**

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	-0.385
2	C	-0.344
3	H	0.142
4	H	0.156
5	H	0.156
6	Cl	-0.088
7	H	0.182
8	H	0.182

	x	y	z	Total
	1.202	1.898	0.000	2.247
CHELPG
AIM
ESP

<r²>	79.281
(<r²>)^1/2	8.904

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

using model chemistry: B3PW91/6-31G**

States and conformations

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