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	hartrees
Energy at 0K	-194.755131
Energy at 298.15K	-194.763186
HF Energy	-193.959560
Nuclear repulsion energy	161.284398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3251	3176
2	A'	3249	3174
3	A'	3166	3093
4	A'	3164	3091
5	A'	3159	3086
6	A'	3135	3062
7	A'	1711	1671
8	A'	1551	1515
9	A'	1497	1463
10	A'	1382	1350
11	A'	1334	1304
12	A'	1259	1230
13	A'	1243	1214
14	A'	1095	1070
15	A'	1025	1002
16	A'	985	962
17	A'	841	822
18	A'	785	767
19	A'	445	435
20	A'	270	264
21	A"	3236	3162
22	A"	3154	3081
23	A"	1509	1474
24	A"	1224	1196
25	A"	1154	1127
26	A"	1095	1070
27	A"	1006	983
28	A"	943	922
29	A"	887	866
30	A"	848	829
31	A"	671	655
32	A"	313	306
33	A"	116	113

Atom	x (Å)	y (Å)	z (Å)
C1	-0.402	0.291	0.000
C2	0.259	-1.042	0.000
C3	-0.396	-2.230	0.000
C4	0.259	1.445	0.760
C5	0.259	1.445	-0.760
H6	-1.500	0.275	0.000
H7	1.361	-1.034	0.000
H8	0.148	-3.180	0.000
H9	-1.493	-2.274	0.000
H10	-0.397	2.153	1.277
H11	1.202	1.225	1.273
H12	-0.397	2.153	-1.277
H13	1.202	1.225	-1.273

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4881	2.5208	1.5320	1.5320	1.0973	2.2061	3.5145	2.7875	2.2573	2.2514	2.2573	2.2514
C2	1.4881		1.3569	2.6001	2.6001	2.1970	1.1017	2.1411	2.1423	3.5020	2.7659	3.5020	2.7659
C3	2.5208	1.3569		3.8091	3.8091	2.7366	2.1254	1.0954	1.0974	4.5644	4.0142	4.5644	4.0142
C4	1.5320	2.6001	3.8091		1.5209	2.2452	2.8175	4.6881	4.1808	1.0946	1.0955	2.2543	2.2523
C5	1.5320	2.6001	3.8091	1.5209		2.2452	2.8175	4.6881	4.1808	2.2543	2.2523	1.0946	1.0955
H6	1.0973	2.1970	2.7366	2.2452	2.2452		3.1460	3.8276	2.5489	2.5244	3.1344	2.5244	3.1344
H7	2.2061	1.1017	2.1254	2.8175	2.8175	3.1460		2.4646	3.1116	3.8571	2.5987	3.8571	2.5987
H8	3.5145	2.1411	1.0954	4.6881	4.6881	3.8276	2.4646		1.8746	5.5103	4.7052	5.5103	4.7052
H9	2.7875	2.1423	1.0974	4.1808	4.1808	2.5489	3.1116	1.8746		4.7358	4.5969	4.7358	4.5969
H10	2.2573	3.5020	4.5644	1.0946	2.2543	2.5244	3.8571	5.5103	4.7358		1.8483	2.5537	3.1495
H11	2.2514	2.7659	4.0142	1.0955	2.2523	3.1344	2.5987	4.7052	4.5969	1.8483		3.1495	2.5465
H12	2.2573	3.5020	4.5644	2.2543	1.0946	2.5244	3.8571	5.5103	4.7358	2.5537	3.1495		1.8483
H13	2.2514	2.7659	4.0142	2.2523	1.0955	3.1344	2.5987	4.7052	4.5969	3.1495	2.5465	1.8483

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.695	C1	C2	H7	116.025
C1	C4	C5	60.240	C1	C4	H10	117.528
C1	C4	H11	116.962	C1	C5	C4	60.240
C1	C5	H12	117.528	C1	C5	H13	116.962
C2	C1	C4	118.839	C2	C1	C5	118.839
C2	C1	H6	115.549	C2	C3	H8	121.279
C2	C3	H9	121.226	C3	C2	H7	119.280
C4	C1	H6	116.306	C4	C5	H12	118.149
C4	C5	H13	117.913	C5	C1	H6	116.306
C5	C4	H10	118.149	C5	C4	H11	117.913
H8	C3	H9	117.495	H10	C4	H11	115.119
H12	C5	H13	115.119

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: MP4/aug-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 C5H8 (Ethenylcyclopropane)

using model chemistry: MP4/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)