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	hartrees
Energy at 0K	-156.820984
Energy at 298.15K	-156.828689
HF Energy	-156.128247
Nuclear repulsion energy	117.351800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3205	3036	48.53
2	A₁	3187	3019	2.85
3	A₁	3081	2919	9.76
4	A₁	1765	1672	2.51
5	A₁	1531	1450	4.86
6	A₁	1452	1375	3.37
7	A₁	1309	1240	0.01
8	A₁	1039	985	0.73
9	A₁	882	836	0.39
10	A₁	297	281	0.00
11	A₂	3135	2970	0.00
12	A₂	1515	1435	0.00
13	A₂	1073	1017	0.00
14	A₂	1020	967	0.00
15	A₂	394	373	0.00
16	A₂	122	116	0.00
17	B₁	3136	2971	36.57
18	B₁	1520	1440	8.52
19	B₁	1084	1027	2.25
20	B₁	711	674	28.70
21	B₁	123	116	0.59
22	B₂	3183	3016	15.96
23	B₂	3169	3002	2.45
24	B₂	3078	2916	30.99
25	B₂	1522	1442	2.66
26	B₂	1465	1388	5.17
27	B₂	1414	1340	3.50
28	B₂	1173	1111	0.43
29	B₂	999	946	9.80
30	B₂	566	536	5.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.672	0.642
C2	0.000	-0.672	0.642
C3	0.000	1.647	-0.509
C4	0.000	-1.647	-0.509
H5	0.000	1.153	1.617
H6	0.000	-1.153	1.617
H7	0.000	1.180	-1.489
H8	0.000	-1.180	-1.489
H9	-0.877	2.302	-0.463
H10	0.877	2.302	-0.463
H11	0.877	-2.302	-0.463
H12	-0.877	-2.302	-0.463

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3441	1.5089	2.5895	1.0868	2.0692	2.1912	2.8238	2.1555	2.1555	3.2915	3.2915
C2	1.3441		2.5895	1.5089	2.0692	1.0868	2.8238	2.1912	3.2915	3.2915	2.1555	2.1555
C3	1.5089	2.5895		3.2946	2.1826	3.5161	1.0857	2.9925	1.0950	1.0950	4.0455	4.0455
C4	2.5895	1.5089	3.2946		3.5161	2.1826	2.9925	1.0857	4.0455	4.0455	1.0950	1.0950
H5	1.0868	2.0692	2.1826	3.5161		2.3065	3.1061	3.8848	2.5324	2.5324	4.1269	4.1269
H6	2.0692	1.0868	3.5161	2.1826	2.3065		3.8848	3.1061	4.1269	4.1269	2.5324	2.5324
H7	2.1912	2.8238	1.0857	2.9925	3.1061	3.8848		2.3602	1.7549	1.7549	3.7344	3.7344
H8	2.8238	2.1912	2.9925	1.0857	3.8848	3.1061	2.3602		3.7344	3.7344	1.7549	1.7549
H9	2.1555	3.2915	1.0950	4.0455	2.5324	4.1269	1.7549	3.7344		1.7532	4.9262	4.6037
H10	2.1555	3.2915	1.0950	4.0455	2.5324	4.1269	1.7549	3.7344	1.7532		4.6037	4.9262
H11	3.2915	2.1555	4.0455	1.0950	4.1269	2.5324	3.7344	1.7549	4.9262	4.6037		1.7532
H12	3.2915	2.1555	4.0455	1.0950	4.1269	2.5324	3.7344	1.7549	4.6037	4.9262	1.7532

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	130.264	C1	C2	H6	116.281
C1	C3	H7	114.250	C1	C3	H9	110.742
C1	C3	H10	110.742	C2	C1	C3	130.264
C2	C1	H5	116.281	C2	C4	H8	114.250
C2	C4	H11	110.742	C2	C4	H12	110.742
C3	C1	H5	113.455	C4	C2	H6	113.455
H7	C3	H9	107.174	H7	C3	H10	107.174
H8	C4	H11	107.174	H8	C4	H12	107.174
H9	C3	H10	106.369	H11	C4	H12	106.369

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

using model chemistry: QCISD/6-31G(2df,p)

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 CH3CHCHCH3 (2-Butene, (Z)-)

using model chemistry: QCISD/6-31G(2df,p)

States and conformations

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