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	hartrees
Energy at 0K	-154.018726
Energy at 298.15K	-154.024839
Nuclear repulsion energy	109.852754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3309	2987	0.05
2	A₁	3308	2986	21.71
3	A₁	1987	1794	2.42
4	A₁	1637	1478	0.24
5	A₁	1605	1449	0.67
6	A₁	1199	1082	5.96
7	A₁	1081	975	4.12
8	A₁	765	690	13.36
9	A₂	3380	3051	0.00
10	A₂	1283	1158	0.00
11	A₂	1071	967	0.00
12	A₂	699	631	0.00
13	B₁	3396	3065	14.26
14	B₁	1243	1122	0.01
15	B₁	1102	995	57.86
16	B₁	842	760	1.28
17	B₁	380	343	7.93
18	B₂	3382	3053	13.12
19	B₂	3303	2981	12.33
20	B₂	1599	1444	1.96
21	B₂	1278	1153	15.58
22	B₂	1241	1120	1.05
23	B₂	951	859	15.85
24	B₂	398	360	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.624
C2	0.000	0.000	0.323
H3	0.000	0.916	2.185
H4	0.000	-0.916	2.185
C5	0.000	0.772	-0.930
C6	0.000	-0.772	-0.930
H7	0.907	1.266	-1.224
H8	-0.907	1.266	-1.224
H9	-0.907	-1.266	-1.224
H10	0.907	-1.266	-1.224

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3007	1.0739	1.0739	2.6683	2.6683	3.2455	3.2455	3.2455	3.2455
C2	1.3007		2.0749	2.0749	1.4722	1.4722	2.1950	2.1950	2.1950	2.1950
H3	1.0739	2.0749		1.8311	3.1186	3.5432	3.5448	3.5448	4.1475	4.1475
H4	1.0739	2.0749	1.8311		3.5432	3.1186	4.1475	4.1475	3.5448	3.5448
C5	2.6683	1.4722	3.1186	3.5432		1.5447	1.0734	1.0734	2.2501	2.2501
C6	2.6683	1.4722	3.5432	3.1186	1.5447		2.2501	2.2501	1.0734	1.0734
H7	3.2455	2.1950	3.5448	4.1475	1.0734	2.2501		1.8137	3.1145	2.5318
H8	3.2455	2.1950	3.5448	4.1475	1.0734	2.2501	1.8137		2.5318	3.1145
H9	3.2455	2.1950	4.1475	3.5448	2.2501	1.0734	3.1145	2.5318		1.8137
H10	3.2455	2.1950	4.1475	3.5448	2.2501	1.0734	2.5318	3.1145	1.8137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.357	C1	C2	C6	148.357
C2	C1	H3	121.511	C2	C1	H4	121.511
C2	C5	C6	58.357	C2	C5	H7	118.296
C2	C5	H8	118.296	C2	C6	C5	58.357
C2	C6	H9	118.296	C2	C6	H10	118.296
H3	C1	H4	116.979	C5	C2	C6	63.285
C5	C6	H9	117.375	C5	C6	H10	117.375
C6	C5	H7	117.375	C6	C5	H8	117.375
H7	C5	H8	115.316	H9	C6	H10	115.316

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: HF/3-21G*

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	CHELPG
1	C	-0.524	-0.556
2	C	-0.094	0.230
3	H	0.215	0.196
4	H	0.215	0.196
5	C	-0.386	-0.292
6	C	-0.386	-0.292
7	H	0.240	0.129
8	H	0.240	0.129
9	H	0.240	0.129
10	H	0.240	0.129

<r²>	76.504
(<r²>)^1/2	8.747

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)