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	hartrees
Energy at 0K	-616.801720
Energy at 298.15K	-616.808669
Nuclear repulsion energy	214.173735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3192	3037	17.80
2	A'	3178	3023	2.41
3	A'	3170	3016	10.63
4	A'	3071	2922	18.93
5	A'	3065	2917	23.82
6	A'	1777	1691	12.63
7	A'	1507	1434	8.93
8	A'	1497	1424	1.18
9	A'	1430	1360	3.10
10	A'	1425	1356	3.89
11	A'	1329	1264	26.64
12	A'	1181	1123	31.74
13	A'	1126	1071	3.75
14	A'	1047	996	18.36
15	A'	922	877	28.37
16	A'	627	596	26.59
17	A'	532	506	0.37
18	A'	346	329	0.57
19	A'	236	225	1.51
20	A"	3144	2992	10.27
21	A"	3125	2974	16.56
22	A"	1500	1427	7.13
23	A"	1484	1412	10.15
24	A"	1077	1025	1.16
25	A"	1063	1012	0.84
26	A"	832	791	13.10
27	A"	482	458	1.45
28	A"	255	243	1.94
29	A"	196	186	1.80
30	A"	120	114	0.10

Atom	x (Å)	y (Å)	z (Å)
H1	0.327	2.631	0.000
Cl2	-1.284	-0.675	0.000
C3	1.848	-1.219	0.000
C4	-0.508	1.928	0.000
H5	-1.127	2.120	0.881
H6	-1.127	2.120	-0.881
C7	0.000	0.525	0.000
C8	1.281	0.159	0.000
H9	1.995	0.981	0.000
H10	1.068	-1.980	0.000
H11	2.482	-1.376	-0.879
H12	2.482	-1.376	0.879

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.6778	4.1397	1.0917	1.7755	1.7755	2.1315	2.6496	2.3465	4.6702	4.6337	4.6337
Cl2	3.6778		3.1793	2.7165	2.9349	2.9349	1.7574	2.6977	3.6738	2.6899	3.9305	3.9305
C3	4.1397	3.1793		3.9319	4.5584	4.5584	2.5411	1.4904	2.2049	1.0899	1.0950	1.0950
C4	1.0917	2.7165	3.9319		1.0937	1.0937	1.4928	2.5165	2.6769	4.2143	4.5423	4.5423
H5	1.7755	2.9349	4.5584	1.0937		1.7624	2.1428	3.2283	3.4385	4.7335	5.3240	5.0247
H6	1.7755	2.9349	4.5584	1.0937	1.7624		2.1428	3.2283	3.4385	4.7335	5.0247	5.3240
C7	2.1315	1.7574	2.5411	1.4928	2.1428	2.1428		1.3325	2.0468	2.7230	3.2474	3.2474
C8	2.6496	2.6977	1.4904	2.5165	3.2283	3.2283	1.3325		1.0885	2.1499	2.1379	2.1379
H9	2.3465	3.6738	2.2049	2.6769	3.4385	3.4385	2.0468	1.0885		3.1027	2.5618	2.5618
H10	4.6702	2.6899	1.0899	4.2143	4.7335	4.7335	2.7230	2.1499	3.1027		1.7714	1.7714
H11	4.6337	3.9305	1.0950	4.5423	5.3240	5.0247	3.2474	2.1379	2.5618	1.7714		1.7579
H12	4.6337	3.9305	1.0950	4.5423	5.0247	5.3240	3.2474	2.1379	2.5618	1.7714	1.7579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.674	H1	C4	H6	108.674
H1	C4	C7	110.157	Cl2	C7	C4	113.148
Cl2	C7	C8	121.021	C3	C8	C7	128.280
C3	C8	H9	116.654	C4	C7	C8	125.831
H5	C4	H6	107.363	H5	C4	C7	110.942
H6	C4	C7	110.942	C7	C8	H9	115.066
C8	C3	H10	111.926	C8	C3	H11	110.640
C8	C3	H12	110.640	H10	C3	H11	108.338
H10	C3	H12	108.338	H11	C3	H12	106.781

All results from a given calculation for CH₃CClCHCH₃ (2-Butene, 2-chloro-, (Z)-)

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	H	0.146
2	Cl	-0.029
3	C	-0.437
4	C	-0.413
5	H	0.162
6	H	0.162
7	C	-0.097
8	C	-0.085
9	H	0.132
10	H	0.162
11	H	0.149
12	H	0.149

	x	y	z	Total
	1.398	1.120	0.000	1.791
CHELPG
AIM
ESP

<r²>	171.526
(<r²>)^1/2	13.097

All results from a given calculation for CH3CClCHCH3 (2-Butene, 2-chloro-, (Z)-)

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

States and conformations

All results from a given calculation for CH₃CClCHCH₃ (2-Butene, 2-chloro-, (Z)-)