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	hartrees
Energy at 0K	-193.102753
Energy at 298.15K	-193.107795
HF Energy	-192.649994
Nuclear repulsion energy	145.318927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3483	3332	43.79
2	A	3286	3144	18.77
3	A	3195	3057	7.42
4	A	3186	3048	5.20
5	A	2120	2029	2.49
6	A	1564	1496	0.54
7	A	1423	1362	3.62
8	A	1238	1185	0.39
9	A	1174	1123	2.64
10	A	1159	1109	8.54
11	A	979	936	16.87
12	A	847	811	0.53
13	A	763	730	3.98
14	A	596	571	61.35
15	A	508	486	2.85
16	A	191	183	0.75
17	A	3270	3129	0.17
18	A	3180	3043	13.72
19	A	1547	1480	2.24
20	A	1256	1202	0.74
21	A	1199	1147	1.57
22	A	1162	1112	7.75
23	A	952	910	0.87
24	A	852	816	14.80
25	A	544	521	40.16
26	A	453	433	22.97
27	A	154	147	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.639	0.000
C2	-1.108	-0.307	0.000
H3	-0.297	1.687	0.000
C4	1.300	0.331	0.760
C5	1.300	0.331	-0.760
C6	-2.019	-1.141	0.000
H7	-2.826	-1.844	0.000
H8	1.784	1.151	1.286
H9	1.359	-0.628	1.270
H10	1.784	1.151	-1.286
H11	1.359	-0.628	-1.270

	C1	C2	H3	C4	C5	C6	H7	H8	H9	H10	H11
C1		1.4568	1.0896	1.5372	1.5372	2.6917	3.7611	2.2580	2.2507	2.2580	2.2507
C2	1.4568		2.1523	2.6049	2.6049	1.2353	2.3045	3.4847	2.7940	3.4847	2.7940
H3	1.0896	2.1523		2.2292	2.2292	3.3108	4.3423	2.5047	3.1172	2.5047	3.1172
C4	1.5372	2.6049	2.2292		1.5201	3.7100	4.7254	1.0876	1.0876	2.2567	2.2460
C5	1.5372	2.6049	2.2292	1.5201		3.7100	4.7254	2.2567	2.2460	1.0876	1.0876
C6	2.6917	1.2353	3.3108	3.7100	3.7100		1.0694	4.6229	3.6460	4.6229	3.6460
H7	3.7611	2.3045	4.3423	4.7254	4.7254	1.0694		5.6452	4.5395	5.6452	4.5395
H8	2.2580	3.4847	2.5047	1.0876	2.2567	4.6229	5.6452		1.8285	2.5721	3.1429
H9	2.2507	2.7940	3.1172	1.0876	2.2460	3.6460	4.5395	1.8285		3.1429	2.5406
H10	2.2580	3.4847	2.5047	2.2567	1.0876	4.6229	5.6452	2.5721	3.1429		1.8285
H11	2.2507	2.7940	3.1172	2.2460	1.0876	3.6460	4.5395	3.1429	2.5406	1.8285

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C6	177.997	C1	C4	C5	60.369
C1	C4	H8	117.665	C1	C4	H9	117.031
C1	C5	C4	60.369	C1	C5	H10	117.665
C1	C5	H11	117.031	C2	C1	H3	114.625
C2	C1	C4	120.899	C2	C1	C5	120.899
C2	C6	H7	178.593	H3	C1	C4	115.059
H3	C1	C5	115.059	C4	C1	C5	59.263
C4	C5	H10	118.924	C4	C5	H11	117.980
C5	C4	H8	118.924	C5	C4	H9	117.980
H8	C4	H9	114.418	H10	C5	H11	114.418

All results from a given calculation for C₅H₆ (Cyclopropylacetylene)

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 (Cyclopropylacetylene)

using model chemistry: MP2/6-31G

States and conformations

All results from a given calculation for C₅H₆ (Cyclopropylacetylene)