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	hartrees
Energy at 0K	-193.445298
Energy at 298.15K	-193.449426
HF Energy	-192.781776
Nuclear repulsion energy	137.694481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3489	3315	58.45
2	A'	3194	3035	22.62
3	A'	3182	3024	4.35
4	A'	3167	3009	10.37
5	A'	3068	2916	21.23
6	A'	2125	2020	0.21
7	A'	1698	1614	1.08
8	A'	1530	1454	13.60
9	A'	1449	1377	3.21
10	A'	1342	1276	1.35
11	A'	1331	1265	1.08
12	A'	1150	1093	0.27
13	A'	1057	1005	9.39
14	A'	924	878	6.67
15	A'	599	569	48.58
16	A'	538	511	0.15
17	A'	384	365	1.49
18	A'	167	159	1.18
19	A"	3142	2986	15.30
20	A"	1514	1439	9.89
21	A"	1078	1025	0.16
22	A"	977	929	47.51
23	A"	788	749	1.24
24	A"	515	489	37.59
25	A"	351	333	10.23
26	A"	188	179	0.45
27	A"	154	146	1.27

Atom	x (Å)	y (Å)	z (Å)
C1	-2.336	-0.431	0.000
H2	-2.768	-0.919	0.879
H3	-2.768	-0.919	-0.879
H4	-2.648	0.616	0.000
C5	-0.844	-0.555	0.000
H6	-0.425	-1.561	0.000
C7	0.000	0.495	0.000
H8	-0.405	1.507	0.000
C9	1.423	0.370	0.000
C10	2.642	0.295	0.000
H11	3.705	0.230	0.000

	C1	H2	H3	H4	C5	H6	C7	H8	C9	C10	H11
C1		1.0948	1.0948	1.0925	1.4967	2.2197	2.5125	2.7354	3.8426	5.0302	6.0765
H2	1.0948		1.7584	1.7728	2.1469	2.5839	3.2306	3.4991	4.4721	5.6141	6.6330
H3	1.0948	1.7584		1.7728	2.1469	2.5839	3.2306	3.4991	4.4721	5.6141	6.6330
H4	1.0925	1.7728	1.7728		2.1509	3.1115	2.6510	2.4136	4.0783	5.3001	6.3649
C5	1.4967	2.1469	2.1469	2.1509		1.0899	1.3472	2.1083	2.4481	3.5880	4.6161
H6	2.2197	2.5839	2.5839	3.1115	1.0899		2.0999	3.0684	2.6729	3.5849	4.5017
C7	2.5125	3.2306	3.2306	2.6510	1.3472	2.0999		1.0901	1.4281	2.6496	3.7144
H8	2.7354	3.4991	3.4991	2.4136	2.1083	3.0684	1.0901		2.1527	3.2797	4.3041
C9	3.8426	4.4721	4.4721	4.0783	2.4481	2.6729	1.4281	2.1527		1.2217	2.2866
C10	5.0302	5.6141	5.6141	5.3001	3.5880	3.5849	2.6496	3.2797	1.2217		1.0648
H11	6.0765	6.6330	6.6330	6.3649	4.6161	4.5017	3.7144	4.3041	2.2866	1.0648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	117.348	C1	C5	C7	124.037
H2	C1	H3	106.856	H2	C1	H4	108.295
H2	C1	C5	110.923	H3	C1	H4	108.295
H3	C1	C5	110.923	H4	C1	C5	111.384
C5	C7	H8	119.387	C5	C7	C9	123.766
H6	C5	C7	118.615	C7	C9	C10	178.529
H8	C7	C9	116.847	C9	C10	H11	179.930

All results from a given calculation for C₅H₆ (3-Penten-1-yne, (E)-)

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 C5H6 (3-Penten-1-yne, (E)-)

using model chemistry: MP2/6-311G*

States and conformations

All results from a given calculation for C₅H₆ (3-Penten-1-yne, (E)-)