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	hartrees
Energy at 0K	-156.265219
Energy at 298.15K	-156.272927
Nuclear repulsion energy	116.351258

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3077	3060	66.98
2	A	3054	3037	3.43
3	A	2958	2942	9.84
4	A	1674	1664	1.94
5	A	1527	1518	6.14
6	A	1431	1423	6.32
7	A	1298	1291	0.39
8	A	1025	1019	1.87
9	A	834	830	0.39
10	A	295	293	0.04
11	A	2989	2972	0.00
12	A	1520	1512	0.00
13	A	1068	1062	0.00
14	A	983	977	0.00
15	A	381	379	0.00
16	A	161	160	0.00
17	A	2990	2973	52.03
18	A	1523	1515	12.48
19	A	1071	1065	0.00
20	A	683	679	44.23
21	A	126	125	1.06
22	A	3055	3039	21.04
23	A	3036	3019	0.57
24	A	2956	2940	43.50
25	A	1520	1512	3.70
26	A	1431	1423	8.14
27	A	1414	1407	0.03
28	A	1151	1144	4.00
29	A	946	941	14.74
30	A	571	568	7.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.674	0.677
C2	0.000	-0.674	0.677
C3	0.000	1.597	-0.532
C4	0.000	-1.597	-0.532
H5	0.000	1.188	1.645
H6	0.000	-1.188	1.645
H7	0.000	1.040	-1.481
H8	0.000	-1.040	-1.481
H9	-0.889	2.254	-0.518
H10	0.889	2.254	-0.518
H11	0.889	-2.254	-0.518
H12	-0.889	-2.254	-0.518

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3471	1.5213	2.5722	1.0967	2.0986	2.1886	2.7553	2.1721	2.1721	3.2850	3.2850
C2	1.3471		2.5722	1.5213	2.0986	1.0967	2.7553	2.1886	3.2850	3.2850	2.1721	2.1721
C3	1.5213	2.5722		3.1938	2.2154	3.5353	1.1000	2.8023	1.1059	1.1059	3.9526	3.9526
C4	2.5722	1.5213	3.1938		3.5353	2.2154	2.8023	1.1000	3.9526	3.9526	1.1059	1.1059
H5	1.0967	2.0986	2.2154	3.5353		2.3767	3.1296	3.8390	2.5705	2.5705	4.1622	4.1622
H6	2.0986	1.0967	3.5353	2.2154	2.3767		3.8390	3.1296	4.1622	4.1622	2.5705	2.5705
H7	2.1886	2.7553	1.1000	2.8023	3.1296	3.8390		2.0800	1.7866	1.7866	3.5455	3.5455
H8	2.7553	2.1886	2.8023	1.1000	3.8390	3.1296	2.0800		3.5455	3.5455	1.7866	1.7866
H9	2.1721	3.2850	1.1059	3.9526	2.5705	4.1622	1.7866	3.5455		1.7782	4.8468	4.5088
H10	2.1721	3.2850	1.1059	3.9526	2.5705	4.1622	1.7866	3.5455	1.7782		4.5088	4.8468
H11	3.2850	2.1721	3.9526	1.1059	4.1622	2.5705	3.5455	1.7866	4.8468	4.5088		1.7782
H12	3.2850	2.1721	3.9526	1.1059	4.1622	2.5705	3.5455	1.7866	4.5088	4.8468	1.7782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.370	C1	C2	H6	117.997
C1	C3	H7	112.218	C1	C3	H9	110.540
C1	C3	H10	110.540	C2	C1	C3	127.370
C2	C1	H5	117.997	C2	C4	H8	112.218
C2	C4	H11	110.540	C2	C4	H12	110.540
C3	C1	H5	114.633	C4	C2	H6	114.633
H7	C3	H9	108.170	H7	C3	H10	108.170
H8	C4	H11	108.170	H8	C4	H12	108.170
H9	C3	H10	107.020	H11	C4	H12	107.020

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

using model chemistry: BLYP/3-21G

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	-0.577
2	C	-0.577
3	C	-0.141
4	C	-0.141
5	H	0.187
6	H	0.187
7	H	0.187
8	H	0.187
9	H	0.186
10	H	0.186
11	H	0.157
12	H	0.157

<r²>	100.643
(<r²>)^1/2	10.032

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

using model chemistry: BLYP/3-21G

States and conformations

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