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	hartrees
Energy at 0K	-155.435114
Energy at 298.15K
HF Energy	-154.877950
Nuclear repulsion energy	107.330238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3321	3156	0.31	125.63	0.29	0.45
2	A'	3197	3038	11.84	83.96	0.74	0.85
3	A'	3100	2946	59.84	146.22	0.13	0.23
4	A'	3084	2931	23.30	173.71	0.01	0.01
5	A'	1843	1751	8.56	25.90	0.20	0.33
6	A'	1522	1447	6.36	14.05	0.42	0.59
7	A'	1481	1408	8.50	17.22	0.68	0.81
8	A'	1401	1331	0.28	7.45	0.66	0.80
9	A'	1212	1152	1.87	6.36	0.42	0.59
10	A'	1091	1036	8.49	3.65	0.20	0.33
11	A'	1062	1010	25.22	0.23	0.50	0.66
12	A'	992	943	6.11	7.53	0.35	0.52
13	A'	942	896	12.45	6.55	0.55	0.71
14	A'	684	650	0.53	15.14	0.61	0.76
15	A'	319	303	1.50	1.56	0.74	0.85
16	A"	3183	3025	39.30	95.44	0.75	0.86
17	A"	3174	3017	16.79	87.66	0.75	0.86
18	A"	1478	1404	8.06	13.15	0.75	0.86
19	A"	1116	1060	0.95	2.57	0.75	0.86
20	A"	1042	990	0.28	3.47	0.75	0.86
21	A"	993	944	2.64	7.30	0.75	0.86
22	A"	712	676	25.59	0.72	0.75	0.86
23	A"	289	275	10.88	0.94	0.75	0.86
24	A"	159	152	0.48	0.33	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.183	0.000
C2	-0.071	-1.335	0.000
C3	1.159	-0.441	0.000
C4	-0.821	1.417	0.000
H5	-0.356	-1.863	0.923
H6	-0.356	-1.863	-0.923
H7	2.247	-0.414	0.000
H8	-0.189	2.318	0.000
H9	-1.475	1.441	-0.887
H10	-1.475	1.441	0.887

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5190	1.3166	1.4824	2.2719	2.2719	2.3243	2.1436	2.1318	2.1318
C2	1.5190		1.5204	2.8521	1.1006	1.1006	2.4938	3.6545	3.2343	3.2343
C3	1.3166	1.5204		2.7157	2.2732	2.2732	1.0876	3.0711	3.3567	3.3567
C4	1.4824	2.8521	2.7157		3.4385	3.4385	3.5723	1.1004	1.1023	1.1023
H5	2.2719	1.1006	2.2732	3.4385		1.8454	3.1184	4.2844	3.9292	3.4877
H6	2.2719	1.1006	2.2732	3.4385	1.8454		3.1184	4.2844	3.4877	3.9292
H7	2.3243	2.4938	1.0876	3.5723	3.1184	3.1184		3.6597	4.2514	4.2514
H8	2.1436	3.6545	3.0711	1.1004	4.2844	4.2844	3.6597		1.7916	1.7916
H9	2.1318	3.2343	3.3567	1.1023	3.9292	3.4877	4.2514	1.7916		1.7742
H10	2.1318	3.2343	3.3567	1.1023	3.4877	3.9292	4.2514	1.7916	1.7742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	51.339	H1	C2	C6	119.420
C2	C3	C6	24.939	C2	C3	C10	72.208
C2	C6	C3	35.623	C2	C6	H4	49.654
C2	C6	H5	33.034	C3	C2	C6	119.437
C3	C6	H4	52.042	C3	C6	H5	66.053
C3	C10	H7	9.391	C3	C10	H8	65.197
C3	C10	H9	74.676	H4	C6	H5	74.434
C6	C3	C10	86.254	H7	C10	H8	58.805
H7	C10	H9	77.956	H8	C10	H9	60.320

All results from a given calculation for C₄H₆ (1-Methylcyclopropene)

using model chemistry: MP2=FULL/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 C4H6 (1-Methylcyclopropene)

using model chemistry: MP2=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₆ (1-Methylcyclopropene)