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	hartrees
Energy at 0K
Energy at 298.15K	0.038925
HF Energy	0.038925
Nuclear repulsion energy	101.926207

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'	3145	3063	13.70	58.30	0.37	0.53
2	A'	3143	3061	12.41	61.09	0.74	0.85
3	A'	3139	3057	27.33	49.37	0.20	0.34
4	A'	3126	3045	12.45	35.41	0.49	0.66
5	A'	3030	2951	12.96	61.67	0.39	0.56
6	A'	1870	1822	5.60	800.52	0.28	0.44
7	A'	1815	1767	5.01	21.42	0.29	0.45
8	A'	1367	1331	7.25	51.17	0.55	0.71
9	A'	1314	1280	3.25	0.32	0.41	0.58
10	A'	1263	1231	17.20	61.44	0.63	0.77
11	A'	1204	1173	4.92	9.90	0.66	0.80
12	A'	988	963	5.06	4.34	0.65	0.79
13	A'	908	885	0.00	1.99	0.74	0.85
14	A'	630	614	21.73	17.79	0.15	0.26
15	A'	507	494	1.53	8.71	0.74	0.85
16	A'	381	371	0.85	8.13	0.70	0.83
17	A'	253	246	0.16	5.33	0.68	0.81
18	A"	1035	1009	4.03	80.99	0.75	0.86
19	A"	1011	985	66.56	22.29	0.75	0.86
20	A"	931	906	27.56	6.66	0.75	0.86
21	A"	701	682	0.26	32.42	0.75	0.86
22	A"	599	583	0.02	1.70	0.75	0.86
23	A"	407	397	6.49	5.71	0.75	0.86
24	A"	49	48	0.15	3.52	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.299	1.870
C2	0.000	0.570
C3	1.366	0.062
C4	1.676	-1.232
Cl5	-1.257	-0.572
H6	0.461	2.647
H7	-1.322	2.234
H8	2.151	0.829
H9	2.703	-1.582
H10	0.930	-2.024

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3341	2.4575	3.6769	2.6240	1.0861	1.0863	2.6623	4.5749	4.0837
C2	1.3341		1.4570	2.4604	1.6989	2.1271	2.1254	2.1669	3.4552	2.7559
C3	2.4575	1.4570		1.3305	2.6987	2.7384	3.4557	1.0980	2.1195	2.1311
C4	3.6769	2.4604	1.3305		3.0062	4.0642	4.5823	2.1150	1.0858	1.0877
Cl5	2.6240	1.6989	2.6987	3.0062		3.6488	2.8070	3.6857	4.0873	2.6257
H6	1.0861	2.1271	2.7384	4.0642	3.6488		1.8301	2.4825	4.7865	4.6943
H7	1.0863	2.1254	3.4557	4.5823	2.8070	1.8301		3.7471	5.5467	4.8171
H8	2.6623	2.1669	1.0980	2.1150	3.6857	2.4825	3.7471		2.4733	3.1034
H9	4.5749	3.4552	2.1195	1.0858	4.0873	4.7865	5.5467	2.4733		1.8271
H10	4.0837	2.7559	2.1311	1.0877	2.6257	4.6943	4.8171	3.1034	1.8271

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.343	C1	C2	Cl5	119.311
C2	C1	H6	122.694	C2	C1	H7	122.502
C2	C3	C4	123.869	C2	C3	H8	115.300
C3	C2	Cl5	117.346	C3	C4	H9	122.286
C3	C4	H10	123.291	C4	C3	H8	120.832
H6	C1	H7	114.804	H9	C4	H10	114.423

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

using model chemistry: PM3

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: PM3

States and conformations

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