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	hartrees
Energy at 0K	-650.624808
Energy at 298.15K	-650.630934
HF Energy	-650.624808
Nuclear repulsion energy	216.969713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3108	3072	12.75
2	A	3080	3045	2.58
3	A	3046	3011	8.24
4	A	3014	2979	12.21
5	A	3012	2978	8.26
6	A	1478	1461	6.51
7	A	1418	1401	11.14
8	A	1393	1377	5.17
9	A	1266	1251	17.81
10	A	1233	1219	2.83
11	A	1178	1164	3.13
12	A	1129	1116	1.74
13	A	1101	1089	4.17
14	A	1089	1077	5.94
15	A	1033	1021	0.72
16	A	972	960	30.05
17	A	885	875	27.11
18	A	855	845	3.37
19	A	828	819	13.53
20	A	758	750	48.97
21	A	409	404	0.36
22	A	370	365	3.99
23	A	204	202	12.24
24	A	90	89	6.83

Atom	x (Å)	y (Å)	z (Å)
C1	-0.381	0.730	0.259
Cl2	-1.863	-0.229	-0.032
C3	0.761	0.134	-0.473
C4	1.611	-0.849	0.185
O5	2.037	0.495	0.027
H6	-0.176	0.729	1.339
H7	-0.589	1.756	-0.071
H8	0.674	0.109	-1.567
H9	1.364	-1.151	1.211
H10	2.146	-1.590	-0.419

	C1	Cl2	C3	C4	O5	H6	H7	H8	H9	H10
C1		1.7891	1.4820	2.5429	2.4404	1.0989	1.0981	2.1988	2.7369	3.4967
Cl2	1.7891		2.6855	3.5350	3.9670	2.3752	2.3592	2.9842	3.5789	4.2507
C3	1.4820	2.6855		1.4561	1.4171	2.1252	2.1492	1.0981	2.2023	2.2115
C4	2.5429	3.5350	1.4561		1.4194	2.6489	3.4198	2.2057	1.0976	1.0956
O5	2.4404	3.9670	1.4171	1.4194		2.5835	2.9151	2.1330	2.1367	2.1357
H6	1.0989	2.3752	2.1252	2.6489	2.5835		1.7927	3.0909	2.4343	3.7232
H7	1.0981	2.3592	2.1492	3.4198	2.9151	1.7927		2.5591	3.7302	4.3359
H8	2.1988	2.9842	1.0981	2.2057	2.1330	3.0909	2.5591		3.1276	2.5236
H9	2.7369	3.5789	2.2023	1.0976	2.1367	2.4343	3.7302	3.1276		1.8605
H10	3.4967	4.2507	2.2115	1.0956	2.1357	3.7232	4.3359	2.5236	1.8605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	119.869	C1	C3	O5	114.632
C1	C3	H8	116.111	Cl2	C1	C3	110.012
Cl2	C1	H6	108.277	Cl2	C1	H7	107.154
C3	C1	H6	109.974	C3	C1	H7	111.950
C3	C4	O5	59.037	C3	C4	H9	118.498
C3	C4	H10	119.470	C3	O5	C4	61.775
C4	C3	O5	59.188	C4	C3	H8	118.768
O5	C3	H8	115.416	O5	C4	H9	115.597
O5	C4	H10	115.644	H6	C1	H7	109.368
H9	C4	H10	116.053

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

using model chemistry: SVWN/TZVP

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	-0.401
2	Cl	-0.075
3	C	-0.107
4	C	-0.216
5	O	-0.206
6	H	0.212
7	H	0.230
8	H	0.220
9	H	0.170
10	H	0.173

	x	y	z	Total
	0.309	-0.405	0.036	0.511
CHELPG
AIM
ESP

	x	y	z
x	8.763	-0.114	0.267
y	-0.114	6.838	-0.079
z	0.267	-0.079	6.200

<r²>	169.068
(<r²>)^1/2	13.003

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

using model chemistry: SVWN/TZVP

States and conformations

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