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	hartrees
Energy at 0K	-155.775729
Energy at 298.15K
HF Energy	-155.775729
Nuclear repulsion energy	108.321880

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'	3308	3158	0.36	124.02	0.32	0.48
2	A'	3149	3007	15.94	94.57	0.71	0.83
3	A'	3051	2913	28.01	307.75	0.01	0.02
4	A'	3050	2912	81.31	54.30	0.68	0.81
5	A'	1891	1806	15.84	73.06	0.14	0.24
6	A'	1531	1462	6.98	12.54	0.45	0.62
7	A'	1481	1414	11.59	15.59	0.58	0.74
8	A'	1404	1340	0.58	12.19	0.68	0.81
9	A'	1215	1160	2.34	10.62	0.35	0.51
10	A'	1097	1048	14.44	7.42	0.16	0.28
11	A'	1081	1032	29.30	0.06	0.74	0.85
12	A'	994	949	10.52	8.65	0.28	0.43
13	A'	948	905	14.75	4.94	0.55	0.71
14	A'	700	668	1.14	14.73	0.60	0.75
15	A'	325	310	2.12	1.50	0.75	0.85
16	A"	3119	2978	0.80	87.36	0.75	0.86
17	A"	3113	2972	63.11	126.14	0.75	0.86
18	A"	1477	1410	10.48	9.22	0.75	0.86
19	A"	1127	1076	0.70	0.67	0.75	0.86
20	A"	1051	1004	0.25	2.53	0.75	0.86
21	A"	988	944	2.94	3.47	0.75	0.86
22	A"	726	693	40.18	1.73	0.75	0.86
23	A"	298	284	15.21	0.38	0.75	0.86
24	A"	161	154	0.57	0.28	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.180	0.000
C2	-0.035	-1.324	0.000
C3	1.156	-0.407	0.000
C4	-0.848	1.383	0.000
H5	-0.310	-1.860	0.914
H6	-0.310	-1.860	-0.914
H7	2.234	-0.355	0.000
H8	-0.249	2.298	0.000
H9	-1.502	1.390	-0.880
H10	-1.502	1.390	0.880

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5043	1.2969	1.4719	2.2574	2.2574	2.2975	2.1327	2.1200	2.1200
C2	1.5043		1.5036	2.8263	1.0950	1.0950	2.4674	3.6283	3.2081	3.2081
C3	1.2969	1.5036		2.6874	2.2584	2.2584	1.0790	3.0485	3.3272	3.3272
C4	1.4719	2.8263	2.6874		3.4126	3.4126	3.5389	1.0936	1.0962	1.0962
H5	2.2574	1.0950	2.2584	3.4126		1.8279	3.0945	4.2584	3.8994	3.4625
H6	2.2574	1.0950	2.2584	3.4126	1.8279		3.0945	4.2584	3.4625	3.8994
H7	2.2975	2.4674	1.0790	3.5389	3.0945	3.0945		3.6346	4.2166	4.2166
H8	2.1327	3.6283	3.0485	1.0936	4.2584	4.2584	3.6346		1.7797	1.7797
H9	2.1200	3.2081	3.3272	1.0962	3.8994	3.4625	4.2166	1.7797		1.7600
H10	2.1200	3.2081	3.3272	1.0962	3.4625	3.8994	4.2166	1.7797	1.7600

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	51.081	H1	C2	C6	119.729
C2	C3	C6	24.863	C2	C3	C10	72.316
C2	C6	C3	35.263	C2	C6	H4	49.473
C2	C6	H5	33.424	C3	C2	C6	119.874
C3	C6	H4	51.839	C3	C6	H5	66.128
C3	C10	H7	9.355	C3	C10	H8	65.324
C3	C10	H9	74.664	H4	C6	H5	74.466
C6	C3	C10	86.319	H7	C10	H8	58.968
H7	C10	H9	77.954	H8	C10	H9	60.366

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

using model chemistry: HSEh1PBE/6-31+G**

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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Number	Element	Mulliken
1	C	0.150
2	C	-0.353
3	C	-0.069
4	C	-0.725
5	H	0.143
6	H	0.143
7	H	0.156
8	H	0.183
9	H	0.186
10	H	0.186

	x	y	z	Total
	-0.211	0.896	0.000	0.920
CHELPG
AIM
ESP

	x	y	z
x	7.298	-0.600	0.000
y	-0.600	7.577	0.000
z	0.000	0.000	5.097

<r²>	80.259
(<r²>)^1/2	8.959

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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