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	hartrees
Energy at 0K	-651.558484
Energy at 298.15K
HF Energy	-650.820417
Nuclear repulsion energy	215.335120

Atom	x (Å)	y (Å)	z (Å)
C1	0.395	-0.712	0.271
Cl2	1.886	0.223	-0.034
C3	-0.758	-0.099	-0.467
C4	-1.651	0.851	0.197
O5	-2.053	-0.529	0.002
H6	0.195	-0.708	1.340
H7	0.571	-1.733	-0.062
H8	-0.660	-0.058	-1.547
H9	-1.456	1.125	1.228
H10	-2.202	1.571	-0.394

	C1	Cl2	C3	C4	O5	H6	H7	H8	H9	H10
C1		1.7864	1.4992	2.5754	2.4693	1.0873	1.0877	2.2012	2.7780	3.5213
Cl2	1.7864		2.6979	3.5993	4.0103	2.3691	2.3570	2.9748	3.6847	4.3196
C3	1.4992	2.6979		1.4635	1.4432	2.1313	2.1441	1.0854	2.2042	2.2096
C4	2.5754	3.5993	1.4635		1.4511	2.6729	3.4173	2.2024	1.0838	1.0826
O5	2.4693	4.0103	1.4432	1.4511		2.6224	2.8874	2.1359	2.1435	2.1425
H6	1.0873	2.3691	2.1313	2.6729	2.6224		1.7760	3.0803	2.4700	3.7348
H7	1.0877	2.3570	2.1441	3.4173	2.8874	1.7760		2.5547	3.7334	4.3261
H8	2.2012	2.9748	1.0854	2.2024	2.1359	3.0803	2.5547		3.1198	2.5224
H9	2.7780	3.6847	2.2042	1.0838	2.1435	2.4700	3.7334	3.1198		1.8398
H10	3.5213	4.3196	2.2096	1.0826	2.1425	3.7348	4.3261	2.5224	1.8398

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	120.747	C1	C3	O5	114.098
C1	C3	H8	115.859	Cl2	C1	C3	110.091
Cl2	C1	H6	108.601	Cl2	C1	H7	107.697
C3	C1	H6	109.953	C3	C1	H7	110.956
C3	C4	O5	59.362	C3	C4	H9	119.087
C3	C4	H10	119.674	C3	O5	C4	60.747
C4	C3	O5	59.891	C4	C3	H8	118.800
O5	C3	H8	114.534	O5	C4	H9	114.705
O5	C4	H10	114.699	H6	C1	H7	109.482
H9	C4	H10	116.261

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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