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	hartrees
Energy at 0K	-650.713007
Energy at 298.15K	-650.719329
Nuclear repulsion energy	211.992507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3464	3119	23.56
2	A	3420	3079	10.38
3	A	3400	3061	5.41
4	A	3352	3018	19.37
5	A	3334	3002	17.87
6	A	1667	1501	1.93
7	A	1643	1479	9.12
8	A	1578	1421	0.63
9	A	1430	1288	38.55
10	A	1385	1247	0.66
11	A	1329	1197	3.07
12	A	1301	1171	3.98
13	A	1272	1146	1.74
14	A	1183	1065	4.30
15	A	1161	1045	0.44
16	A	1046	942	25.57
17	A	987	888	1.97
18	A	903	813	26.39
19	A	843	759	38.76
20	A	730	657	90.54
21	A	437	394	0.22
22	A	384	346	6.39
23	A	223	201	21.87
24	A	93	84	14.84

Atom	x (Å)	y (Å)	z (Å)
C1	-0.361	-0.762	-0.260
Cl2	-1.927	0.230	0.030
C3	0.778	-0.109	0.467
C4	1.650	0.878	-0.191
O5	2.101	-0.510	-0.015
H6	-0.210	-0.783	-1.323
H7	-0.572	-1.747	0.115
H8	0.691	-0.086	1.534
H9	1.462	1.159	-1.208
H10	2.177	1.596	0.402

	C1	Cl2	C3	C4	O5	H6	H7	H8	H9	H10
C1		1.8763	1.5007	2.5960	2.4875	1.0743	1.0743	2.1870	2.8133	3.5277
Cl2	1.8763		2.7608	3.6418	4.0960	2.4095	2.3980	3.0355	3.7257	4.3416
C3	1.5007	2.7608		1.4722	1.4644	2.1529	2.1509	1.0713	2.2094	2.2071
C4	2.5960	3.6418	1.4722		1.4700	2.7388	3.4522	2.1967	1.0717	1.0704
O5	2.4875	4.0960	1.4644	1.4700		2.6701	2.9482	2.1377	2.1489	2.1486
H6	1.0743	2.4095	2.1529	2.7388	2.6701		1.7688	3.0763	2.5656	3.7866
H7	1.0743	2.3980	2.1509	3.4522	2.9482	1.7688		2.5230	3.7856	4.3376
H8	2.1870	3.0355	1.0713	2.1967	2.1377	3.0763	2.5230		3.1088	2.5144
H9	2.8133	3.7257	2.2094	1.0717	2.1489	2.5656	3.7856	3.1088		1.8149
H10	3.5277	4.3416	2.2071	1.0704	2.1486	3.7866	4.3376	2.5144	1.8149

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	121.668	C1	C3	O5	114.050
C1	C3	H8	115.485	Cl2	C1	C3	109.170
Cl2	C1	H6	106.300	Cl2	C1	H7	105.483
C3	C1	H6	112.405	C3	C1	H7	112.236
C3	C4	O5	59.699	C3	C4	H9	119.740
C3	C4	H10	119.628	C3	O5	C4	60.227
C4	C3	O5	60.073	C4	C3	H8	118.611
O5	C3	H8	114.035	O5	C4	H9	114.538
O5	C4	H10	114.597	H6	C1	H7	110.821
H9	C4	H10	115.828

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

using model chemistry: HF/SDD

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	-0.468
2	Cl	-0.141
3	C	0.159
4	C	-0.194
5	O	-0.471
6	H	0.239
7	H	0.257
8	H	0.219
9	H	0.194
10	H	0.206

	x	y	z	Total
	0.326	0.738	-0.073	0.810
CHELPG
AIM
ESP

	x	y	z
x	7.428	-0.455	-0.613
y	-0.455	5.463	-0.134
z	-0.613	-0.134	4.426

<r²>	178.002
(<r²>)^1/2	13.342

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

using model chemistry: HF/SDD

States and conformations

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