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	hartrees
Energy at 0K	-652.605565
Energy at 298.15K	-652.611548
HF Energy	-652.605565
Nuclear repulsion energy	211.700981

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3103	3078	33.90
2	A	3089	3064	8.90
3	A	3048	3023	14.04
4	A	3028	3003	11.80
5	A	3021	2997	25.11
6	A	1509	1497	1.44
7	A	1475	1463	3.80
8	A	1406	1394	4.77
9	A	1276	1266	32.66
10	A	1243	1233	4.82
11	A	1179	1170	3.71
12	A	1138	1128	0.88
13	A	1110	1101	0.84
14	A	1077	1068	3.72
15	A	1040	1032	0.35
16	A	945	938	23.60
17	A	866	859	2.57
18	A	815	808	24.57
19	A	776	770	13.64
20	A	686	680	66.22
21	A	392	389	0.12
22	A	355	352	3.52
23	A	201	200	12.07
24	A	88	87	6.50

Atom	x (Å)	y (Å)	z (Å)
C1	-0.401	0.682	0.304
Cl2	-1.945	-0.217	-0.046
C3	0.769	0.057	-0.443
C4	1.753	-0.816	0.231
O5	2.075	0.560	-0.075
H6	-0.234	0.668	1.391
H7	-0.546	1.731	-0.002
H8	0.600	-0.075	-1.521
H9	1.622	-1.063	1.295
H10	2.294	-1.585	-0.341

	C1	Cl2	C3	C4	O5	H6	H7	H8	H9	H10
C1		1.8201	1.5221	2.6248	2.5075	1.1004	1.1024	2.2147	2.8494	3.5796
Cl2	1.8201		2.7565	3.7564	4.0942	2.4025	2.3984	2.9453	3.9032	4.4635
C3	1.5221	2.7565		1.4777	1.4471	2.1780	2.1745	1.0996	2.2360	2.2423
C4	2.6248	3.7564	1.4777		1.4461	2.7386	3.4395	2.2246	1.1003	1.0999
O5	2.5075	4.0942	1.4471	1.4461		2.7374	2.8718	2.1612	2.1712	2.1722
H6	1.1004	2.4025	2.1780	2.7386	2.7374		1.7798	3.1193	2.5397	3.8035
H7	1.1024	2.3984	2.1745	3.4395	2.8718	1.7798		2.6239	3.7667	4.3788
H8	2.2147	2.9453	1.0996	2.2246	2.1612	3.1193	2.6239		3.1547	2.5572
H9	2.8494	3.9032	2.2360	1.1003	2.1712	2.5397	3.7667	3.1547		1.8444
H10	3.5796	4.4635	2.2423	1.0999	2.1722	3.8035	4.3788	2.5572	1.8444

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	122.080	C1	C3	O5	115.217
C1	C3	H8	114.319	Cl2	C1	C3	110.807
Cl2	C1	H6	108.156	Cl2	C1	H7	107.763
C3	C1	H6	111.285	C3	C1	H7	110.888
C3	C4	O5	59.318	C3	C4	H9	119.586
C3	C4	H10	120.183	C3	O5	C4	61.430
C4	C3	O5	59.252	C4	C3	H8	118.602
O5	C3	H8	115.454	O5	C4	H9	116.345
O5	C4	H10	116.465	H6	C1	H7	107.801
H9	C4	H10	113.916

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

using model chemistry: BLYP/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	-0.354
2	Cl	-0.093
3	C	0.133
4	C	-0.087
5	O	-0.407
6	H	0.185
7	H	0.191
8	H	0.143
9	H	0.143
10	H	0.145

	x	y	z	Total
	0.626	-0.337	0.115	0.721
CHELPG
AIM
ESP

	x	y	z
x	8.254	-0.132	0.297
y	-0.132	5.948	-0.108
z	0.297	-0.108	5.412

<r²>	177.872
(<r²>)^1/2	13.337

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

using model chemistry: BLYP/6-31G*

States and conformations

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