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	hartrees
Energy at 0K	-614.134206
Energy at 298.15K
HF Energy	-613.737790
Nuclear repulsion energy	191.341748

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3278	3164	8.56	40.69	0.74	0.85
2	A'	3275	3161	10.47	58.64	0.66	0.80
3	A'	3166	3057	9.16	157.86	0.14	0.24
4	A'	3156	3046	5.33	86.00	0.14	0.25
5	A'	3146	3037	7.18	15.64	0.75	0.86
6	A'	1667	1609	5.54	76.19	0.29	0.45
7	A'	1606	1550	36.49	1.90	0.70	0.83
8	A'	1493	1441	1.16	45.07	0.38	0.55
9	A'	1433	1383	0.95	1.62	0.62	0.77
10	A'	1337	1291	0.80	16.57	0.41	0.58
11	A'	1237	1194	42.75	13.23	0.33	0.50
12	A'	1050	1014	11.43	3.37	0.74	0.85
13	A'	897	866	6.85	0.93	0.14	0.25
14	A'	585	564	15.61	13.80	0.16	0.27
15	A'	505	487	3.53	7.35	0.73	0.84
16	A'	375	362	0.97	4.48	0.75	0.86
17	A'	237	229	0.20	3.35	0.70	0.83
18	A"	975	941	54.38	0.27	0.75	0.86
19	A"	865	835	38.60	3.50	0.75	0.86
20	A"	841	812	72.07	3.59	0.75	0.86
21	A"	724	699	0.65	5.97	0.75	0.86
22	A"	634	612	1.82	2.26	0.75	0.86
23	A"	384	371	8.04	1.60	0.75	0.86
24	A"	124	120	0.19	2.29	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.397	1.925
C2	0.000	0.617
C3	1.413	0.151
C4	1.847	-1.147
Cl5	-1.312	-0.695
H6	0.358	2.717
H7	-1.447	2.218
H8	2.148	0.967
H9	2.917	-1.372
H10	1.153	-1.990

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3665	2.5334	3.8039	2.7754	1.0941	1.0905	2.7187	4.6740	4.2102
C2	1.3665		1.4874	2.5542	1.8558	2.1300	2.1580	2.1760	3.5303	2.8505
C3	2.5334	1.4874		1.3690	2.8534	2.7735	3.5282	1.0979	2.1407	2.1569
C4	3.8039	2.5542	1.3690		3.1918	4.1405	4.7090	2.1349	1.0927	1.0923
Cl5	2.7754	1.8558	2.8534	3.1918		3.7990	2.9164	3.8385	4.2828	2.7846
H6	1.0941	2.1300	2.7735	4.1405	3.7990		1.8729	2.5027	4.8230	4.7732
H7	1.0905	2.1580	3.5282	4.7090	2.9164	1.8729		3.8061	5.6506	4.9464
H8	2.7187	2.1760	1.0979	2.1349	3.8385	2.5027	3.8061		2.4620	3.1196
H9	4.6740	3.5303	2.1407	1.0927	4.2828	4.8230	5.6506	2.4620		1.8688
H10	4.2102	2.8505	2.1569	1.0923	2.7846	4.7732	4.9464	3.1196	1.8688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.117	C1	C2	Cl5	118.128
C2	C1	H6	119.497	C2	C1	H7	122.476
C2	C3	C4	126.765	C2	C3	H8	113.784
C3	C2	Cl5	116.755	C3	C4	H9	120.410
C3	C4	H10	122.006	C4	C3	H8	119.451
H6	C1	H7	118.027	H9	C4	H10	117.585

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

using model chemistry: MP2/SDD

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: MP2/SDD

States and conformations

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