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	hartrees
Energy at 0K	-205.959276
Energy at 298.15K	-205.965600
Nuclear repulsion energy	155.820865

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3465	3118	23.97
2	A	3423	3081	10.79
3	A	3402	3062	5.64
4	A	3353	3018	19.57
5	A	3336	3002	18.80
6	A	1667	1500	1.86
7	A	1644	1479	9.20
8	A	1579	1421	0.57
9	A	1435	1292	36.39
10	A	1386	1247	0.72
11	A	1330	1197	2.87
12	A	1301	1170	3.89
13	A	1273	1146	1.77
14	A	1184	1066	4.15
15	A	1162	1046	0.46
16	A	1047	942	25.49
17	A	988	889	1.78
18	A	904	813	25.28
19	A	843	759	39.72
20	A	733	659	92.30
21	A	438	394	0.20
22	A	384	346	6.35
23	A	224	202	22.83
24	A	92	83	15.36

Atom	x (Å)	y (Å)	z (Å)
C1	-0.931	-0.616	-0.252
Cl2	-2.393	0.505	0.068
C3	0.270	-0.080	0.472
C4	1.220	0.835	-0.182
O5	1.545	-0.591	-0.034
H6	-0.793	-0.634	-1.317
H7	-1.227	-1.583	0.111
H8	0.196	-0.067	1.541
H9	1.046	1.149	-1.191
H10	1.817	1.493	0.415

	C1	Cl2	C3	C4	O5	H6	H7	H8	H9	H10
C1		1.8701	1.5009	2.5956	2.4864	1.0742	1.0742	2.1874	2.8122	3.5277
Cl2	1.8701		2.7563	3.6369	4.0897	2.4037	2.3920	3.0335	3.7190	4.3386
C3	1.5009	2.7563		1.4724	1.4642	2.1531	2.1513	1.0711	2.2094	2.2073
C4	2.5956	3.6369	1.4724		1.4698	2.7381	3.4523	2.1972	1.0717	1.0704
O5	2.4864	4.0897	1.4642	1.4698		2.6678	2.9482	2.1381	2.1490	2.1486
H6	1.0742	2.4037	2.1531	2.7381	2.6678		1.7686	3.0765	2.5646	3.7861
H7	1.0742	2.3920	2.1513	3.4523	2.9482	1.7686		2.5232	3.7852	4.3380
H8	2.1874	3.0335	1.0711	2.1972	2.1381	3.0765	2.5232		3.1089	2.5153
H9	2.8122	3.7190	2.2094	1.0717	2.1490	2.5646	3.7852	3.1089		1.8148
H10	3.5277	4.3386	2.2073	1.0704	2.1486	3.7861	4.3380	2.5153	1.8148

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	121.608	C1	C3	O5	113.968
C1	C3	H8	115.509	Cl2	C1	C3	109.210
Cl2	C1	H6	106.278	Cl2	C1	H7	105.453
C3	C1	H6	112.401	C3	C1	H7	112.257
C3	C4	O5	59.689	C3	C4	H9	119.733
C3	C4	H10	119.635	C3	O5	C4	60.241
C4	C3	O5	60.069	C4	C3	H8	118.654
O5	C3	H8	114.094	O5	C4	H9	114.556
O5	C4	H10	114.610	H6	C1	H7	110.813
H9	C4	H10	115.818

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

using model chemistry: HF/LANL2DZ

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	-0.459
2	Cl	-0.139
3	C	0.152
4	C	-0.186
5	O	-0.472
6	H	0.236
7	H	0.254
8	H	0.218
9	H	0.192
10	H	0.205

	x	y	z	Total
	0.489	0.661	-0.067	0.825
CHELPG
AIM
ESP

	x	y	z
x	7.132	-0.638	-0.675
y	-0.638	5.428	-0.047
z	-0.675	-0.047	4.292

<r²>	129.849
(<r²>)^1/2	11.395

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

using model chemistry: HF/LANL2DZ

States and conformations

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