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	hartrees
Energy at 0K	-31.192052
Energy at 298.15K	-31.197298
HF Energy	-30.745836
Nuclear repulsion energy	75.349669

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3411	3329	39.26
2	A	3222	3144	30.70
3	A	3138	3063	10.19
4	A	3103	3029	8.41
5	A	2048	1998	5.76
6	A	1516	1480	0.90
7	A	1385	1352	5.53
8	A	1212	1183	0.25
9	A	1147	1120	2.36
10	A	1139	1112	9.47
11	A	941	918	18.50
12	A	825	805	0.79
13	A	746	728	5.42
14	A	677	660	76.41
15	A	482	470	7.33
16	A	193	189	1.60
17	A	3205	3128	0.18
18	A	3093	3019	22.20
19	A	1496	1461	2.14
20	A	1230	1200	0.81
21	A	1171	1143	2.97
22	A	1136	1109	5.99
23	A	925	903	1.14
24	A	830	810	20.27
25	A	632	617	80.80
26	A	521	509	0.82
27	A	206	201	1.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.653	0.000
C2	-1.107	-0.317	0.000
H3	-0.306	1.702	0.000
C4	1.313	0.326	0.774
C5	1.313	0.326	-0.774
C6	-2.047	-1.136	0.000
H7	-2.852	-1.842	0.000
H8	1.808	1.152	1.288
H9	1.357	-0.639	1.280
H10	1.808	1.152	-1.288
H11	1.357	-0.639	-1.280

	C1	C2	H3	C4	C5	C6	H7	H8	H9	H10	H11
C1		1.4723	1.0925	1.5582	1.5582	2.7180	3.7890	2.2752	2.2693	2.2752	2.2693
C2	1.4723		2.1724	2.6208	2.6208	1.2458	2.3167	3.5094	2.7952	3.5094	2.7952
H3	1.0925	2.1724		2.2604	2.2604	3.3289	4.3634	2.5357	3.1438	2.5357	3.1438
C4	1.5582	2.6208	2.2604		1.5474	3.7443	4.7582	1.0914	1.0914	2.2752	2.2699
C5	1.5582	2.6208	2.2604	1.5474		3.7443	4.7582	2.2752	2.2699	1.0914	1.0914
C6	2.7180	1.2458	3.3289	3.7443	3.7443		1.0709	4.6636	3.6697	4.6636	3.6697
H7	3.7890	2.3167	4.3634	4.7582	4.7582	1.0709		5.6863	4.5601	5.6863	4.5601
H8	2.2752	3.5094	2.5357	1.0914	2.2752	4.6636	5.6863		1.8472	2.5755	3.1631
H9	2.2693	2.7952	3.1438	1.0914	2.2699	3.6697	4.5601	1.8472		3.1631	2.5599
H10	2.2752	3.5094	2.5357	2.2752	1.0914	4.6636	5.6863	2.5755	3.1631		1.8472
H11	2.2693	2.7952	3.1438	2.2699	1.0914	3.6697	4.5601	3.1631	2.5599	1.8472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C6	179.833	C1	C4	C5	60.229
C1	C4	H8	117.251	C1	C4	H9	116.740
C1	C5	C4	60.229	C1	C5	H10	117.251
C1	C5	H11	116.740	C2	C1	H3	114.976
C2	C1	C4	119.693	C2	C1	C5	119.693
C2	C6	H7	179.800	H3	C1	C4	115.911
H3	C1	C5	115.911	C4	C1	C5	59.543
C4	C5	H10	118.100	C4	C5	H11	117.635
C5	C4	H8	118.100	C5	C4	H9	117.635
H8	C4	H9	115.620	H10	C5	H11	115.620

All results from a given calculation for C₅H₆ (Cyclopropylacetylene)

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

All results from a given calculation for C₅H₆ (Cyclopropylacetylene)