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	hartrees
Energy at 0K	-689.570983
Energy at 298.15K	-689.574818
HF Energy	-689.570983
Nuclear repulsion energy	265.984483

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3336	3174	0.01
2	A'	3320	3159	0.62
3	A'	3299	3139	1.78
4	A'	1643	1564	22.18
5	A'	1549	1474	60.17
6	A'	1436	1367	14.67
7	A'	1271	1209	29.27
8	A'	1239	1179	33.57
9	A'	1177	1120	7.72
10	A'	1114	1060	13.06
11	A'	1044	993	22.92
12	A'	948	902	32.84
13	A'	900	857	1.12
14	A'	505	480	5.07
15	A'	318	303	0.44
16	A"	882	840	0.05
17	A"	814	775	23.11
18	A"	744	708	49.02
19	A"	637	606	5.75
20	A"	616	586	4.73
21	A"	229	218	1.58

Atom	x (Å)	y (Å)
C1	0.000	0.266
C2	1.307	-0.099
C3	1.295	-1.529
C4	-0.009	-1.901
O5	-0.817	-0.806
Cl6	-0.754	1.794
H7	2.158	0.563
H8	2.150	-2.187
H9	-0.516	-2.851

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3574	2.2133	2.1672	1.3473	1.7043	2.1786	3.2617	3.1597
C2	1.3574		1.4302	2.2319	2.2385	2.7990	1.0777	2.2515	3.3017
C3	2.2133	1.4302		1.3561	2.2320	3.9042	2.2628	1.0789	2.2424
C4	2.1672	2.2319	1.3561		1.3609	3.7699	3.2814	2.1781	1.0769
O5	1.3473	2.2385	2.2320	1.3609		2.6007	3.2744	3.2725	2.0676
Cl6	1.7043	2.7990	3.9042	3.7699	2.6007		3.1622	4.9279	4.6517
H7	2.1786	1.0777	2.2628	3.2814	3.2744	3.1622		2.7493	4.3367
H8	3.2617	2.2515	1.0789	2.1781	3.2725	4.9279	2.7493		2.7479
H9	3.1597	3.3017	2.2424	1.0769	2.0676	4.6517	4.3367	2.7479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.091	C1	C2	H7	126.548
C1	O5	C4	106.300	C2	C1	O5	111.716
C2	C1	Cl6	131.854	C2	C3	C4	106.430
C2	C3	H8	127.057	C3	C2	H7	128.361
C3	C4	O5	110.464	C3	C4	H9	134.014
C4	C3	H8	126.513	O5	C1	Cl6	116.430
O5	C4	H9	115.522

All results from a given calculation for C₄H₃ClO (Furan, 2-chloro)

using model chemistry: mPW1PW91/6-31G**

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
1	C	0.119
2	C	-0.156
3	C	-0.177
4	C	0.103
5	O	-0.406
6	Cl	0.061
7	H	0.153
8	H	0.145
9	H	0.158

	x	y	z	Total
	1.254	-1.256	0.000	1.775
CHELPG
AIM
ESP

	x	y	z
x	7.874	-1.187	0.000
y	-1.187	10.078	0.000
z	0.000	0.000	3.302

<r²>	178.391
(<r²>)^1/2	13.356

All results from a given calculation for C4H3ClO (Furan, 2-chloro)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for C₄H₃ClO (Furan, 2-chloro)