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	hartrees
Energy at 0K	-651.572348
Energy at 298.15K	-651.578621
HF Energy	-650.815846
Nuclear repulsion energy	215.841688

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3306	3089	17.75
2	A	3258	3045	6.33
3	A	3227	3015	9.43
4	A	3200	2990	14.50
5	A	3182	2974	10.75
6	A	1589	1485	1.39
7	A	1546	1444	6.44
8	A	1492	1394	2.66
9	A	1363	1274	30.53
10	A	1314	1228	1.61
11	A	1254	1172	3.66
12	A	1205	1126	0.83
13	A	1182	1105	1.29
14	A	1146	1071	3.82
15	A	1110	1037	0.02
16	A	1017	950	23.46
17	A	917	856	2.54
18	A	899	840	17.09
19	A	842	787	12.42
20	A	809	756	49.79
21	A	423	395	0.35
22	A	381	356	4.10
23	A	217	203	12.26
24	A	95	89	7.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.394	-0.714	-0.264
Cl2	-1.881	0.224	0.033
C3	0.762	-0.107	0.470
C4	1.643	0.850	-0.192
O5	2.048	-0.523	-0.014
H6	-0.193	-0.715	-1.331
H7	-0.575	-1.732	0.067
H8	0.668	-0.072	1.550
H9	1.434	1.140	-1.215
H10	2.190	1.572	0.400

	C1	Cl2	C3	C4	O5	H6	H7	H8	H9	H10
C1		1.7833	1.4975	2.5693	2.4620	1.0858	1.0860	2.1979	2.7711	3.5132
Cl2	1.7833		2.6993	3.5866	3.9998	2.3646	2.3528	2.9812	3.6583	4.3043
C3	1.4975	2.6993		1.4604	1.4359	2.1280	2.1424	1.0846	2.2012	2.2057
C4	2.5693	3.5866	1.4604		1.4429	2.6689	3.4141	2.1997	1.0829	1.0819
O5	2.4620	3.9998	1.4359	1.4429		2.6072	2.8892	2.1343	2.1408	2.1402
H6	1.0858	2.3646	2.1280	2.6689	2.6072		1.7703	3.0756	2.4705	3.7298
H7	1.0860	2.3528	2.1424	3.4141	2.8892	1.7703		2.5497	3.7315	4.3213
H8	2.1979	2.9812	1.0846	2.1997	2.1343	3.0756	2.5497		3.1144	2.5187
H9	2.7711	3.6583	2.2012	1.0829	2.1408	2.4705	3.7315	3.1144		1.8345
H10	3.5132	4.3043	2.2057	1.0819	2.1402	3.7298	4.3213	2.5187	1.8345

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	120.586	C1	C3	O5	114.113
C1	C3	H8	115.759	Cl2	C1	C3	110.419
Cl2	C1	H6	108.549	Cl2	C1	H7	107.672
C3	C1	H6	109.898	C3	C1	H7	111.038
C3	C4	O5	59.278	C3	C4	H9	119.129
C3	C4	H10	119.615	C3	O5	C4	60.969
C4	C3	O5	59.754	C4	C3	H8	118.863
O5	C3	H8	115.012	O5	C4	H9	115.158
O5	C4	H10	115.169	H6	C1	H7	109.200
H9	C4	H10	115.870

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

using model chemistry: MP2=FULL/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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All results from a given calculation for C3H5ClO (Oxirane, (chloromethyl)-)

using model chemistry: MP2=FULL/6-31G**

States and conformations

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