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	hartrees
Energy at 0K	-650.883011
Energy at 298.15K	-650.889475
Nuclear repulsion energy	216.678075

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3351	3045	29.24
2	A	3323	3019	11.15
3	A	3295	2994	8.80
4	A	3259	2961	19.71
5	A	3257	2959	22.20
6	A	1675	1522	4.55
7	A	1617	1469	6.97
8	A	1573	1429	2.14
9	A	1429	1299	45.57
10	A	1391	1264	3.63
11	A	1316	1196	9.25
12	A	1294	1176	2.68
13	A	1285	1167	3.82
14	A	1220	1109	8.62
15	A	1167	1060	0.72
16	A	1086	987	47.23
17	A	985	895	20.64
18	A	958	871	1.57
19	A	896	814	25.29
20	A	807	733	88.92
21	A	444	403	0.70
22	A	401	365	4.44
23	A	233	212	13.90
24	A	101	91	9.09

Atom	x (Å)	y (Å)	z (Å)
C1	-0.390	0.715	0.267
Cl2	-1.889	-0.229	-0.034
C3	0.773	0.102	-0.461
C4	1.670	-0.830	0.196
O5	2.026	0.515	0.002
H6	-0.221	0.723	1.331
H7	-0.581	1.719	-0.079
H8	0.675	0.063	-1.533
H9	1.489	-1.114	1.219
H10	2.225	-1.540	-0.392

	C1	Cl2	C3	C4	O5	H6	H7	H8	H9	H10
C1		1.7973	1.5021	2.5756	2.4378	1.0781	1.0790	2.1901	2.7900	3.5147
Cl2	1.7973		2.7166	3.6171	3.9851	2.3568	2.3469	2.9844	3.7108	4.3326
C3	1.5021	2.7166		1.4509	1.3977	2.1412	2.1430	1.0774	2.1946	2.1928
C4	2.5756	3.6171	1.4509		1.4049	2.6971	3.4115	2.1859	1.0771	1.0763
O5	2.4378	3.9851	1.3977	1.4049		2.6184	2.8720	2.0941	2.1037	2.1023
H6	1.0781	2.3568	2.1412	2.6971	2.6184		1.7640	3.0728	2.5124	3.7512
H7	1.0790	2.3469	2.1430	3.4115	2.8720	1.7640		2.5361	3.7415	4.3115
H8	2.1901	2.9844	1.0774	2.1859	2.0941	3.0728	2.5361		3.1024	2.5045
H9	2.7900	3.7108	2.1946	1.0771	2.1037	2.5124	3.7415	3.1024		1.8219
H10	3.5147	4.3326	2.1928	1.0763	2.1023	3.7512	4.3115	2.5045	1.8219

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	121.410	C1	C3	O5	114.369
C1	C3	H8	115.228	Cl2	C1	C3	110.525
Cl2	C1	H6	107.446	Cl2	C1	H7	106.684
C3	C1	H6	111.104	C3	C1	H7	111.189
C3	C4	O5	58.578	C3	C4	H9	119.742
C3	C4	H10	119.646	C3	O5	C4	62.356
C4	C3	O5	59.066	C4	C3	H8	118.930
O5	C3	H8	114.964	O5	C4	H9	115.260
O5	C4	H10	115.200	H6	C1	H7	109.728
H9	C4	H10	115.576

All results from a given calculation for C₃H₅ClO (Oxirane, (chloromethyl)-)

using model chemistry: HF/6-311G**

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	-0.182
2	Cl	-0.146
3	C	0.017
4	C	0.039
5	O	-0.389
6	H	0.154
7	H	0.161
8	H	0.127
9	H	0.107
10	H	0.111

	x	y	z	Total
	0.597	-0.487	0.126	0.781
CHELPG
AIM
ESP

	x	y	z
x	7.647	0.094	0.405
y	0.094	5.762	-0.069
z	0.405	-0.069	5.122

<r²>	171.874
(<r²>)^1/2	13.110

All results from a given calculation for C3H5ClO (Oxirane, (chloromethyl)-)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for C₃H₅ClO (Oxirane, (chloromethyl)-)