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	hartrees
Energy at 0K	-193.423728
Energy at 298.15K	-193.428092
HF Energy	-192.759462
Nuclear repulsion energy	140.023604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3495	3329	65.93
2	A'	3224	3071	17.21
3	A'	3204	3051	5.58
4	A'	3192	3040	1.14
5	A'	3076	2930	18.11
6	A'	2116	2016	0.67
7	A'	1689	1609	1.94
8	A'	1479	1409	6.23
9	A'	1428	1360	3.50
10	A'	1384	1318	5.91
11	A'	1254	1194	0.03
12	A'	1120	1066	0.18
13	A'	976	929	16.83
14	A'	920	876	1.82
15	A'	651	620	8.00
16	A'	612	583	31.36
17	A'	358	341	4.32
18	A'	153	145	0.30
19	A"	3158	3008	12.87
20	A"	1481	1411	6.48
21	A"	1056	1006	1.01
22	A"	969	923	0.28
23	A"	739	704	19.61
24	A"	578	551	51.79
25	A"	470	448	1.71
26	A"	261	249	1.01
27	A"	143	136	0.68

Atom	x (Å)	y (Å)	z (Å)
H1	3.167	-0.996	0.000
C2	2.255	-0.426	0.000
C3	1.203	0.223	0.000
H4	0.123	2.098	0.000
C5	0.000	1.009	0.000
H6	-2.093	1.184	0.000
C7	-1.251	0.480	0.000
H8	-0.656	-1.595	0.000
H9	-2.174	-1.251	0.887
H10	-2.174	-1.251	-0.887
C11	-1.572	-0.985	0.000

	H1	C2	C3	H4	C5	H6	C7	H8	H9	H10	C11
H1		1.0757	2.3113	4.3402	3.7481	5.6940	4.6575	3.8695	5.4195	5.4195	4.7392
C2	1.0757		1.2356	3.3036	2.6725	4.6365	3.6204	3.1369	4.5910	4.5910	3.8677
C3	2.3113	1.2356		2.1642	1.4371	3.4335	2.4668	2.5999	3.7892	3.7892	3.0265
H4	4.3402	3.3036	2.1642		1.0961	2.3980	2.1226	3.7749	4.1571	4.1571	3.5191
C5	3.7481	2.6725	1.4371	1.0961		2.1007	1.3578	2.6857	3.2588	3.2588	2.5397
H6	5.6940	4.6365	3.4335	2.3980	2.1007		1.0979	3.1287	2.5927	2.5927	2.2308
C7	4.6575	3.6204	2.4668	2.1226	1.3578	1.0979		2.1590	2.1533	2.1533	1.5005
H8	3.8695	3.1369	2.5999	3.7749	2.6857	3.1287	2.1590		1.7912	1.7912	1.1007
H9	5.4195	4.5910	3.7892	4.1571	3.2588	2.5927	2.1533	1.7912		1.7745	1.1042
H10	5.4195	4.5910	3.7892	4.1571	3.2588	2.5927	2.1533	1.7912	1.7745		1.1042
C11	4.7392	3.8677	3.0265	3.5191	2.5397	2.2308	1.5005	1.1007	1.1042	1.1042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	179.630	C2	C3	C5	178.456
C3	C5	H4	116.727	C3	C5	C7	123.893
H4	C5	C7	119.380	C5	C7	H6	117.233
C5	C7	C11	125.305	H6	C7	C11	117.462
C7	C11	H8	111.266	C7	C11	H9	110.600
C7	C11	H10	110.600	H8	C11	H9	108.654
H8	C11	H10	108.654	H9	C11	H10	106.937

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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