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	hartrees
Energy at 0K	-193.652498
Energy at 298.15K	-193.646486
Nuclear repulsion energy	147.849313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3652	3652	66.42
2	A	3401	3401	23.91
3	A	3331	3331	9.10
4	A	3309	3309	12.22
5	A	2410	2410	9.14
6	A	1651	1651	0.29
7	A	1507	1507	6.59
8	A	1309	1309	1.84
9	A	1231	1231	0.89
10	A	1181	1181	3.30
11	A	1032	1032	22.79
12	A	867	867	2.19
13	A	808	808	3.91
14	A	789	789	43.90
15	A	549	549	10.42
16	A	224	224	1.16
17	A	3385	3385	0.07
18	A	3301	3301	25.58
19	A	1598	1598	0.96
20	A	1308	1308	0.45
21	A	1233	1233	0.59
22	A	1197	1197	3.63
23	A	1010	1010	6.00
24	A	891	891	9.54
25	A	737	737	51.90
26	A	574	574	3.14
27	A	232	232	1.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.635	0.000
C2	-1.085	-0.329	0.000
H3	-0.323	1.664	0.000
C4	1.274	0.331	0.747
C5	1.274	0.331	-0.747
C6	-1.977	-1.118	0.000
H7	-2.770	-1.820	0.000
H8	1.752	1.148	1.262
H9	1.335	-0.617	1.256
H10	1.752	1.148	-1.262
H11	1.335	-0.617	-1.256

	C1	C2	H3	C4	C5	C6	H7	H8	H9	H10	H11
C1		1.4518	1.0781	1.5083	1.5083	2.6424	3.7014	2.2195	2.2192	2.2195	2.2192
C2	1.4518		2.1339	2.5617	2.5617	1.1906	2.2495	3.4390	2.7414	3.4390	2.7414
H3	1.0781	2.1339		2.2104	2.2104	3.2365	4.2573	2.4826	3.0861	2.4826	3.0861
C4	1.5083	2.5617	2.2104		1.4942	3.6373	4.6414	1.0780	1.0771	2.2214	2.2164
C5	1.5083	2.5617	2.2104	1.4942		3.6373	4.6414	2.2214	2.2164	1.0780	1.0771
C6	2.6424	1.1906	3.2365	3.6373	3.6373		1.0590	4.5426	3.5772	4.5426	3.5772
H7	3.7014	2.2495	4.2573	4.6414	4.6414	1.0590		5.5545	4.4581	5.5545	4.4581
H8	2.2195	3.4390	2.4826	1.0780	2.2214	4.5426	5.5545		1.8137	2.5250	3.1033
H9	2.2192	2.7414	3.0861	1.0771	2.2164	3.5772	4.4581	1.8137		3.1033	2.5113
H10	2.2195	3.4390	2.4826	2.2214	1.0780	4.5426	5.5545	2.5250	3.1033		1.8137
H11	2.2192	2.7414	3.0861	2.2164	1.0771	3.5772	4.4581	3.1033	2.5113	1.8137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C6	179.862	C1	C4	C5	60.310
C1	C4	H8	117.259	C1	C4	H9	117.297
C1	C5	C4	60.310	C1	C5	H10	117.259
C1	C5	H11	117.297	C2	C1	H3	114.207
C2	C1	C4	119.843	C2	C1	C5	119.843
C2	C6	H7	179.987	H3	C1	C4	116.450
H3	C1	C5	116.450	C4	C1	C5	59.381
C4	C5	H10	118.564	C4	C5	H11	118.176
C5	C4	H8	118.564	C5	C4	H9	118.176
H8	C4	H9	114.627	H10	C5	H11	114.627

All results from a given calculation for C₅H₆ (Cyclopropylacetylene)

using model chemistry: CBS-Q

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 (Cyclopropylacetylene)

using model chemistry: CBS-Q

States and conformations

All results from a given calculation for C₅H₆ (Cyclopropylacetylene)