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	hartrees
Energy at 0K	-650.817713
Energy at 298.15K	-650.824172
Nuclear repulsion energy	216.690093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3371	3043	28.51
2	A	3339	3014	9.64
3	A	3313	2990	9.49
4	A	3278	2959	22.07
5	A	3271	2952	18.45
6	A	1686	1522	3.94
7	A	1627	1469	8.21
8	A	1581	1427	2.48
9	A	1433	1293	41.02
10	A	1396	1260	4.56
11	A	1319	1191	8.41
12	A	1303	1176	4.96
13	A	1296	1170	2.11
14	A	1225	1105	7.56
15	A	1173	1059	0.22
16	A	1092	985	43.75
17	A	993	896	19.85
18	A	962	869	1.67
19	A	902	814	21.48
20	A	815	736	85.53
21	A	446	403	0.45
22	A	402	363	4.50
23	A	235	212	14.72
24	A	99	89	9.51

Atom	x (Å)	y (Å)	z (Å)
C1	-0.392	0.714	0.265
Cl2	-1.887	-0.229	-0.034
C3	0.772	0.102	-0.462
C4	1.668	-0.831	0.196
O5	2.026	0.517	0.004
H6	-0.219	0.728	1.330
H7	-0.580	1.720	-0.080
H8	0.674	0.062	-1.534
H9	1.487	-1.117	1.219
H10	2.225	-1.541	-0.391

	C1	Cl2	C3	C4	O5	H6	H7	H8	H9	H10
C1		1.7931	1.5036	2.5765	2.4405	1.0787	1.0794	2.1914	2.7917	3.5168
Cl2	1.7931		2.7142	3.6135	3.9840	2.3574	2.3471	2.9833	3.7069	4.3312
C3	1.5036	2.7142		1.4506	1.4001	2.1415	2.1435	1.0780	2.1951	2.1938
C4	2.5765	3.6135	1.4506		1.4072	2.6977	3.4113	2.1863	1.0774	1.0766
O5	2.4405	3.9840	1.4001	1.4072		2.6166	2.8719	2.0972	2.1062	2.1046
H6	1.0787	2.3574	2.1415	2.6977	2.6166		1.7615	3.0736	2.5150	3.7528
H7	1.0794	2.3471	2.1435	3.4113	2.8719	1.7615		2.5371	3.7424	4.3127
H8	2.1914	2.9833	1.0780	2.1863	2.0972	3.0736	2.5371		3.1034	2.5065
H9	2.7917	3.7069	2.1951	1.0774	2.1062	2.5150	3.7424	3.1034		1.8211
H10	3.5168	4.3312	2.1938	1.0766	2.1046	3.7528	4.3127	2.5065	1.8211

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	121.411	C1	C3	O5	114.337
C1	C3	H8	115.185	Cl2	C1	C3	110.528
Cl2	C1	H6	107.732	Cl2	C1	H7	106.948
C3	C1	H6	110.982	C3	C1	H7	111.101
C3	C4	O5	58.646	C3	C4	H9	119.801
C3	C4	H10	119.739	C3	O5	C4	62.224
C4	C3	O5	59.130	C4	C3	H8	118.952
O5	C3	H8	115.009	O5	C4	H9	115.282
O5	C4	H10	115.193	H6	C1	H7	109.409
H9	C4	H10	115.436

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

using model chemistry: HF/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	CHELPG
1	C	-0.306	-0.128
2	Cl	-0.102	-0.218
3	C	0.146	0.111
4	C	0.022	-0.067
5	O	-0.563	-0.354
6	H	0.181	0.144
7	H	0.185	0.156
8	H	0.158	0.112
9	H	0.137	0.133
10	H	0.142	0.111

	x	y	z	Total
	0.477	-0.546	0.119	0.735
CHELPG
AIM
ESP

	x	y	z
x	7.254	-0.054	0.370
y	-0.054	5.580	-0.125
z	0.370	-0.125	5.085

<r²>	171.602
(<r²>)^1/2	13.100

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

using model chemistry: HF/6-31G**

States and conformations

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