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	hartrees
Energy at 0K	-193.491237
Energy at 298.15K	-193.496406
HF Energy	-192.792187
Nuclear repulsion energy	147.603783

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3514	3331	65.43
2	A	3306	3133	8.00
3	A	3223	3055	3.88
4	A	3199	3033	3.87
5	A	2154	2042	9.61
6	A	1534	1454	0.75
7	A	1400	1327	4.01
8	A	1240	1175	0.81
9	A	1158	1098	0.35
10	A	1105	1047	8.64
11	A	983	932	19.19
12	A	834	791	1.06
13	A	775	735	2.96
14	A	637	604	50.38
15	A	493	468	4.60
16	A	188	178	1.38
17	A	3292	3121	0.16
18	A	3195	3028	10.93
19	A	1498	1420	1.93
20	A	1229	1165	0.70
21	A	1151	1091	2.05
22	A	1111	1053	5.45
23	A	923	875	2.83
24	A	850	806	10.38
25	A	577	547	53.03
26	A	505	478	1.09
27	A	193	183	1.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.624	0.156	0.000
C2	-0.563	0.970	0.000
H3	1.553	0.710	0.000
C4	0.624	-1.155	0.748
C5	0.624	-1.155	-0.748
C6	-1.572	1.645	0.000
H7	-2.453	2.238	0.000
H8	1.533	-1.431	1.262
H9	-0.292	-1.431	1.252
H10	1.533	-1.431	-1.262
H11	-0.292	-1.431	-1.252

	C1	C2	H3	C4	C5	C6	H7	H8	H9	H10	H11
C1		1.4384	1.0821	1.5092	1.5092	2.6531	3.7149	2.2225	2.2189	2.2225	2.2189
C2	1.4384		2.1317	2.5456	2.5456	1.2148	2.2766	3.4277	2.7210	3.4277	2.7210
H3	1.0821	2.1317		2.2137	2.2137	3.2625	4.2880	2.4853	3.0909	2.4853	3.0909
C4	1.5092	2.5456	2.2137		1.4956	3.6361	4.6409	1.0809	1.0807	2.2234	2.2164
C5	1.5092	2.5456	2.2137	1.4956		3.6361	4.6409	2.2234	2.2164	1.0809	1.0807
C6	2.6531	1.2148	3.2625	3.6361	3.6361		1.0618	4.5497	3.5595	4.5497	3.5595
H7	3.7149	2.2766	4.2880	4.6409	4.6409	1.0618		5.5630	4.4387	5.5630	4.4387
H8	2.2225	3.4277	2.4853	1.0809	2.2234	4.5497	5.5630		1.8249	2.5243	3.1065
H9	2.2189	2.7210	3.0909	1.0807	2.2164	3.5595	4.4387	1.8249		3.1065	2.5037
H10	2.2225	3.4277	2.4853	2.2234	1.0809	4.5497	5.5630	2.5243	3.1065		1.8249
H11	2.2189	2.7210	3.0909	2.2164	1.0807	3.5595	4.4387	3.1065	2.5037	1.8249

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C6	179.331	C1	C4	C5	60.298
C1	C4	H8	117.242	C1	C4	H9	116.940
C1	C5	C4	60.298	C1	C5	H10	117.242
C1	C5	H11	116.940	C2	C1	H3	114.775
C2	C1	C4	119.430	C2	C1	C5	119.430
C2	C6	H7	179.831	H3	C1	C4	116.388
H3	C1	C5	116.388	C4	C1	C5	59.404
C4	C5	H10	118.414	C4	C5	H11	117.800
C5	C4	H8	118.414	C5	C4	H9	117.800
H8	C4	H9	115.181	H10	C5	H11	115.181

All results from a given calculation for C₅H₆ (Cyclopropylacetylene)

using model chemistry: MP2/TZVP

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: MP2/TZVP

States and conformations

All results from a given calculation for C₅H₆ (Cyclopropylacetylene)