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	hartrees
Energy at 0K	-156.313227
Energy at 298.15K	-156.320994
Nuclear repulsion energy	117.351434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3171	3043	53.29
2	A	3148	3020	3.41
3	A	3044	2921	9.74
4	A	1746	1675	1.67
5	A	1556	1493	10.76
6	A	1464	1405	12.58
7	A	1330	1276	0.75
8	A	1053	1010	2.04
9	A	873	837	0.71
10	A	305	293	0.05
11	A	3089	2964	0.00
12	A	1546	1483	0.00
13	A	1100	1055	0.00
14	A	1026	984	0.00
15	A	395	379	0.00
16	A	150	144	0.00
17	A	3090	2965	38.55
18	A	1551	1488	18.08
19	A	1098	1053	0.00
20	A	710	681	57.72
21	A	119	114	1.23
22	A	3150	3022	15.17
23	A	3131	3004	0.62
24	A	3042	2918	33.14
25	A	1547	1484	6.79
26	A	1465	1405	8.14
27	A	1444	1385	0.22
28	A	1181	1133	4.20
29	A	987	947	16.95
30	A	585	561	9.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.668	0.672
C2	0.000	-0.668	0.672
C3	0.000	1.579	-0.528
C4	0.000	-1.579	-0.528
H5	0.000	1.179	1.635
H6	0.000	-1.179	1.635
H7	0.000	1.025	-1.470
H8	0.000	-1.025	-1.470
H9	-0.884	2.232	-0.515
H10	0.884	2.232	-0.515
H11	0.884	-2.232	-0.515
H12	-0.884	-2.232	-0.515

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3362	1.5066	2.5476	1.0901	2.0832	2.1718	2.7304	2.1532	2.1532	3.2559	3.2559
C2	1.3362		2.5476	1.5066	2.0832	1.0901	2.7304	2.1718	3.2559	3.2559	2.1532	2.1532
C3	1.5066	2.5476		3.1586	2.1994	3.5052	1.0936	2.7694	1.0990	1.0990	3.9125	3.9125
C4	2.5476	1.5066	3.1586		3.5052	2.1994	2.7694	1.0936	3.9125	3.9125	1.0990	1.0990
H5	1.0901	2.0832	2.1994	3.5052		2.3584	3.1090	3.8078	2.5519	2.5519	4.1279	4.1279
H6	2.0832	1.0901	3.5052	2.1994	2.3584		3.8078	3.1090	4.1279	4.1279	2.5519	2.5519
H7	2.1718	2.7304	1.0936	2.7694	3.1090	3.8078		2.0495	1.7753	1.7753	3.5072	3.5072
H8	2.7304	2.1718	2.7694	1.0936	3.8078	3.1090	2.0495		3.5072	3.5072	1.7753	1.7753
H9	2.1532	3.2559	1.0990	3.9125	2.5519	4.1279	1.7753	3.5072		1.7683	4.8014	4.4639
H10	2.1532	3.2559	1.0990	3.9125	2.5519	4.1279	1.7753	3.5072	1.7683		4.4639	4.8014
H11	3.2559	2.1532	3.9125	1.0990	4.1279	2.5519	3.5072	1.7753	4.8014	4.4639		1.7683
H12	3.2559	2.1532	3.9125	1.0990	4.1279	2.5519	3.5072	1.7753	4.4639	4.8014	1.7683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.216	C1	C2	H6	117.959
C1	C3	H7	112.312	C1	C3	H9	110.482
C1	C3	H10	110.482	C2	C1	C3	127.216
C2	C1	H5	117.959	C2	C4	H8	112.312
C2	C4	H11	110.482	C2	C4	H12	110.482
C3	C1	H5	114.825	C4	C2	H6	114.825
H7	C3	H9	108.129	H7	C3	H10	108.129
H8	C4	H11	108.129	H8	C4	H12	108.129
H9	C3	H10	107.125	H11	C4	H12	107.125

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

using model chemistry: B3PW91/3-21G*

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	-0.675
2	C	-0.675
3	C	-0.194
4	C	-0.194
5	H	0.223
6	H	0.223
7	H	0.223
8	H	0.223
9	H	0.219
10	H	0.219
11	H	0.203
12	H	0.203

<r²>	98.915
(<r²>)^1/2	9.946

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

using model chemistry: B3PW91/3-21G*

States and conformations

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