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	hartrees
Energy at 0K	-614.588280
Energy at 298.15K
HF Energy	-613.870924
Nuclear repulsion energy	196.658582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3266	3114	3.85
2	A'	3260	3109	6.59
3	A'	3176	3029	6.40
4	A'	3169	3021	2.02
5	A'	3162	3015	3.03
6	A'	1728	1648	5.22
7	A'	1663	1586	27.55
8	A'	1477	1409	0.49
9	A'	1426	1360	6.09
10	A'	1337	1275	0.18
11	A'	1273	1214	45.55
12	A'	1058	1009	6.22
13	A'	923	880	8.43
14	A'	653	623	19.02
15	A'	535	510	0.89
16	A'	396	378	0.92
17	A'	251	240	0.12
18	A"	992	946	29.33
19	A"	919	876	43.82
20	A"	878	837	46.99
21	A"	746	712	0.75
22	A"	661	631	0.10
23	A"	406	387	9.74
24	A"	127	121	0.34

Atom	x (Å)	y (Å)
C1	-0.293	1.889
C2	0.000	0.581
C3	1.378	0.062
C4	1.746	-1.228
Cl5	-1.303	-0.588
H6	0.509	2.623
H7	-1.315	2.251
H8	2.143	0.840
H9	2.799	-1.499
H10	1.025	-2.039

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3409	2.4761	3.7249	2.6752	1.0869	1.0849	2.6519	4.5866	4.1436
C2	1.3409		1.4726	2.5142	1.7502	2.1049	2.1262	2.1582	3.4868	2.8133
C3	2.4761	1.4726		1.3414	2.7588	2.7046	3.4711	1.0906	2.1105	2.1306
C4	3.7249	2.5142	1.3414		3.1159	4.0448	4.6346	2.1053	1.0865	1.0857
Cl5	2.6752	1.7502	2.7588	3.1159		3.6870	2.8390	3.7297	4.2016	2.7433
H6	1.0869	2.1049	2.7046	4.0448	3.6870		1.8621	2.4184	4.7152	4.6907
H7	1.0849	2.1262	3.4711	4.6346	2.8390	1.8621		3.7350	5.5668	4.8872
H8	2.6519	2.1582	1.0906	2.1053	3.7297	2.4184	3.7350		2.4290	3.0883
H9	4.5866	3.4868	2.1105	1.0865	4.2016	4.7152	5.5668	2.4290		1.8541
H10	4.1436	2.8133	2.1306	1.0857	2.7433	4.6907	4.8872	3.0883	1.8541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.237	C1	C2	Cl5	119.277
C2	C1	H6	119.854	C2	C1	H7	122.096
C2	C3	C4	126.563	C2	C3	H8	113.875
C3	C2	Cl5	117.486	C3	C4	H9	120.386
C3	C4	H10	122.419	C4	C3	H8	119.561
H6	C1	H7	118.050	H9	C4	H10	117.195

All results from a given calculation for CH₂CClCHCH₂ (1,3-Butadiene, 2-chloro-)

using model chemistry: CCSD/6-311G*

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 CH2CClCHCH2 (1,3-Butadiene, 2-chloro-)

using model chemistry: CCSD/6-311G*

States and conformations

All results from a given calculation for CH₂CClCHCH₂ (1,3-Butadiene, 2-chloro-)