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	hartrees
Energy at 0K	-157.121451
Energy at 298.15K	-157.129064
Nuclear repulsion energy	116.155422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3061	3066	64.67
2	A	3035	3040	9.38
3	A	2937	2941	13.95
4	A	1677	1679	4.36
5	A	1424	1426	3.20
6	A	1359	1361	1.02
7	A	1250	1252	0.03
8	A	985	987	0.87
9	A	846	847	0.28
10	A	273	273	0.01
11	A	2974	2979	0.00
12	A	1411	1413	0.00
13	A	1013	1014	0.00
14	A	969	971	0.00
15	A	385	386	0.00
16	A	147	147	0.00
17	A	2974	2979	50.90
18	A	1415	1418	8.65
19	A	1023	1025	0.88
20	A	677	678	26.61
21	A	131	131	1.05
22	A	3040	3045	22.68
23	A	3022	3026	2.49
24	A	2934	2939	53.12
25	A	1422	1424	0.76
26	A	1383	1385	10.61
27	A	1335	1337	4.82
28	A	1117	1119	0.32
29	A	955	956	17.29
30	A	555	556	6.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.676	0.668
C2	0.000	-0.676	0.668
C3	0.000	1.604	-0.525
C4	0.000	-1.604	-0.525
H5	0.000	1.180	1.651
H6	0.000	-1.180	1.651
H7	0.000	1.069	-1.494
H8	0.000	-1.069	-1.494
H9	-0.889	2.273	-0.507
H10	0.889	2.273	-0.507
H11	0.889	-2.273	-0.507
H12	-0.889	-2.273	-0.507

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3517	1.5116	2.5734	1.1044	2.0999	2.1970	2.7778	2.1732	2.1732	3.2967	3.2967
C2	1.3517		2.5734	1.5116	2.0999	1.1044	2.7778	2.1970	3.2967	3.2967	2.1732	2.1732
C3	1.5116	2.5734		3.2086	2.2165	3.5334	1.1069	2.8431	1.1125	1.1125	3.9780	3.9780
C4	2.5734	1.5116	3.2086		3.5334	2.2165	2.8431	1.1069	3.9780	3.9780	1.1125	1.1125
H5	1.1044	2.0999	2.2165	3.5334		2.3600	3.1462	3.8656	2.5772	2.5772	4.1679	4.1679
H6	2.0999	1.1044	3.5334	2.2165	2.3600		3.8656	3.1462	4.1679	4.1679	2.5772	2.5772
H7	2.1970	2.7778	1.1069	2.8431	3.1462	3.8656		2.1375	1.7925	1.7925	3.5959	3.5959
H8	2.7778	2.1970	2.8431	1.1069	3.8656	3.1462	2.1375		3.5959	3.5959	1.7925	1.7925
H9	2.1732	3.2967	1.1125	3.9780	2.5772	4.1679	1.7925	3.5959		1.7775	4.8815	4.5463
H10	2.1732	3.2967	1.1125	3.9780	2.5772	4.1679	1.7925	3.5959	1.7775		4.5463	4.8815
H11	3.2967	2.1732	3.9780	1.1125	4.1679	2.5772	3.5959	1.7925	4.8815	4.5463		1.7775
H12	3.2967	2.1732	3.9780	1.1125	4.1679	2.5772	3.5959	1.7925	4.5463	4.8815	1.7775

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.893	C1	C2	H6	117.161
C1	C3	H7	113.170	C1	C3	H9	110.908
C1	C3	H10	110.908	C2	C1	C3	127.893
C2	C1	H5	117.161	C2	C4	H8	113.170
C2	C4	H11	110.908	C2	C4	H12	110.908
C3	C1	H5	114.946	C4	C2	H6	114.946
H7	C3	H9	107.738	H7	C3	H10	107.738
H8	C4	H11	107.738	H8	C4	H12	107.738
H9	C3	H10	106.053	H11	C4	H12	106.053

All results from a given calculation for CH₃CHCHCH₃ (2-Butene, (Z)-)

using model chemistry: BLYP/cc-pVDZ

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	-0.053
2	C	-0.053
3	C	0.052
4	C	0.052
5	H	-0.042
6	H	-0.042
7	H	0.005
8	H	0.005
9	H	0.019
10	H	0.019
11	H	0.019
12	H	0.019

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH3CHCHCH3 (2-Butene, (Z)-)

using model chemistry: BLYP/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHCHCH₃ (2-Butene, (Z)-)