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	hartrees
Energy at 0K	-155.515895
Energy at 298.15K	-155.519936
HF Energy	-154.945975
Nuclear repulsion energy	99.554741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3077	2924	0.00
2	A₁'	2291	2177	0.00
3	A₁'	1433	1362	0.00
4	A₁'	726	690	0.00
5	A₁"	19	18	0.00
6	A₂"	3078	2925	53.77
7	A₂"	1430	1359	4.24
8	A₂"	1194	1135	0.72
9	E'	3160	3002	21.75
9	E'	3160	3002	21.75
10	E'	1509	1434	13.22
10	E'	1509	1434	13.22
11	E'	1080	1027	1.34
11	E'	1080	1027	1.34
12	E'	196	186	10.67
12	E'	196	186	10.67
13	E"	3160	3003	0.00
13	E"	3160	3003	0.00
14	E"	1508	1433	0.00
14	E"	1508	1433	0.00
15	E"	1052	999	0.00
15	E"	1052	999	0.00
16	E"	272	258	0.00
16	E"	272	258	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.610
C2	0.000	0.000	-0.610
C3	0.000	0.000	2.074
C4	0.000	0.000	-2.074
H5	0.000	1.022	2.463
H6	-0.885	-0.511	2.463
H7	0.885	-0.511	2.463
H8	0.000	1.022	-2.463
H9	0.885	-0.511	-2.463
H10	-0.885	-0.511	-2.463

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2190	1.4645	2.6835	2.1167	2.1167	2.1167	3.2381	3.2381	3.2381
C2	1.2190		2.6835	1.4645	3.2381	3.2381	3.2381	2.1167	2.1167	2.1167
C3	1.4645	2.6835		4.1480	1.0937	1.0937	1.0937	4.6508	4.6508	4.6508
C4	2.6835	1.4645	4.1480		4.6508	4.6508	4.6508	1.0937	1.0937	1.0937
H5	2.1167	3.2381	1.0937	4.6508		1.7704	1.7704	4.9261	5.2346	5.2346
H6	2.1167	3.2381	1.0937	4.6508	1.7704		1.7704	5.2346	5.2346	4.9261
H7	2.1167	3.2381	1.0937	4.6508	1.7704	1.7704		5.2346	4.9261	5.2346
H8	3.2381	2.1167	4.6508	1.0937	4.9261	5.2346	5.2346		1.7704	1.7704
H9	3.2381	2.1167	4.6508	1.0937	5.2346	5.2346	4.9261	1.7704		1.7704
H10	3.2381	2.1167	4.6508	1.0937	5.2346	4.9261	5.2346	1.7704	1.7704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	110.839
C1	C3	H6	110.839	C1	C3	H7	110.839
C2	C1	C3	180.000	C2	C4	H8	110.839
C2	C4	H9	110.839	C2	C4	H10	110.839
H5	C3	H6	108.070	H5	C3	H7	108.070
H6	C3	H7	108.070	H8	C4	H9	108.070
H8	C4	H10	108.070	H9	C4	H10	108.070

All results from a given calculation for CH₃CCCH₃ (2-Butyne)

using model chemistry: MP2/6-311G**

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 CH3CCCH3 (2-Butyne)

using model chemistry: MP2/6-311G**

States and conformations

All results from a given calculation for CH₃CCCH₃ (2-Butyne)