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	hartrees
Energy at 0K	-193.126531
Energy at 298.15K	-193.131250
HF Energy	-192.673872
Nuclear repulsion energy	139.386893

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3475	3325	40.92
2	A'	3194	3056	36.10
3	A'	3169	3032	6.13
4	A'	3149	3013	7.05
5	A'	3052	2920	21.43
6	A'	2104	2013	2.09
7	A'	1680	1607	1.35
8	A'	1563	1495	5.08
9	A'	1487	1422	6.19
10	A'	1460	1397	4.49
11	A'	1315	1258	0.43
12	A'	1157	1107	1.35
13	A'	989	947	15.79
14	A'	900	861	1.30
15	A'	668	639	2.96
16	A'	602	576	56.20
17	A'	360	345	3.49
18	A'	154	147	0.24
19	A"	3120	2985	24.17
20	A"	1557	1490	7.40
21	A"	1118	1070	0.87
22	A"	972	930	0.11
23	A"	757	724	23.91
24	A"	524	501	68.43
25	A"	360	344	9.63
26	A"	127	122	0.89

Atom	x (Å)	y (Å)	z (Å)
H1	3.190	-0.971	0.000
C2	2.277	-0.413	0.000
C3	1.220	0.229	0.000
H4	0.118	2.090	0.000
C5	0.000	1.005	0.000
H6	-2.098	1.175	0.000
C7	-1.255	0.480	0.000
H8	-0.686	-1.606	0.000
H9	-2.193	-1.261	0.887
H10	-2.193	-1.261	-0.887
C11	-1.598	-0.995	0.000

	H1	C2	C3	H4	C5	H6	C7	H8	H9	H10	C11
H1		1.0702	2.3071	4.3373	3.7527	5.7070	4.6762	3.9272	5.4632	5.4632	4.7878
C2	1.0702		1.2368	3.3058	2.6824	4.6543	3.6435	3.1939	4.6353	4.6353	3.9183
C3	2.3071	1.2368		2.1631	1.4458	3.4500	2.4879	2.6455	3.8279	3.8279	3.0721
H4	4.3373	3.3058	2.1631		1.0918	2.3976	2.1169	3.7831	4.1662	4.1662	3.5308
C5	3.7527	2.6824	1.4458	1.0918		2.1048	1.3609	2.6998	3.2755	3.2755	2.5602
H6	5.7070	4.6543	3.4500	2.3976	2.1048		1.0925	3.1195	2.5939	2.5939	2.2273
C7	4.6762	3.6435	2.4879	2.1169	1.3609	1.0925		2.1624	2.1666	2.1666	1.5142
H8	3.9272	3.1939	2.6455	3.7831	2.6998	3.1195	2.1624		1.7827	1.7827	1.0979
H9	5.4632	4.6353	3.8279	4.1662	3.2755	2.5939	2.1666	1.7827		1.7733	1.1004
H10	5.4632	4.6353	3.8279	4.1662	3.2755	2.5939	2.1666	1.7827	1.7733		1.1004
C11	4.7878	3.9183	3.0721	3.5308	2.5602	2.2273	1.5142	1.0979	1.1004	1.1004

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	179.811	C2	C3	C5	178.801
C3	C5	H4	116.257	C3	C5	C7	124.825
H4	C5	C7	118.918	C5	C7	H6	117.751
C5	C7	C11	125.776	H6	C7	C11	116.472
C7	C11	H8	110.746	C7	C11	H9	110.927
C7	C11	H10	110.927	H8	C11	H9	108.378
H8	C11	H10	108.378	H9	C11	H10	107.365

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

using model chemistry: MP2/6-31G

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, (Z)-)

using model chemistry: MP2/6-31G

States and conformations

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