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	hartrees
Energy at 0K	-194.015242
Energy at 298.15K	-194.024024
HF Energy	-194.015242
Nuclear repulsion energy	168.641332

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3274	2968	9.11
2	A'	3251	2947	70.84
3	A'	3224	2922	17.51
4	A'	3198	2899	47.93
5	A'	3180	2882	15.17
6	A'	1882	1706	34.12
7	A'	1625	1473	0.16
8	A'	1595	1446	2.40
9	A'	1557	1412	1.19
10	A'	1384	1255	2.43
11	A'	1326	1202	0.55
12	A'	1198	1086	0.70
13	A'	1032	935	45.12
14	A'	1026	930	11.18
15	A'	952	863	0.25
16	A'	795	720	1.08
17	A'	713	646	2.56
18	A'	419	380	7.56
19	A'	113	102	0.06
20	A"	3351	3037	15.36
21	A"	3229	2927	25.01
22	A"	3177	2880	56.57
23	A"	1586	1437	3.56
24	A"	1405	1274	0.04
25	A"	1357	1230	0.09
26	A"	1329	1204	0.40
27	A"	1296	1175	1.14
28	A"	1126	1020	0.12
29	A"	984	892	1.12
30	A"	979	887	1.55
31	A"	872	790	0.03
32	A"	694	629	0.06
33	A"	382	346	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.226	-0.390	1.088
C2	0.226	-0.390	-1.088
C3	-0.106	0.613	0.000
C4	0.226	-1.494	0.000
C5	-0.604	1.825	0.000
H6	-0.488	-0.489	1.895
H7	-0.488	-0.489	-1.895
H8	1.209	-0.225	1.514
H9	1.209	-0.225	-1.514
H10	-0.819	2.343	0.917
H11	-0.819	2.343	-0.917
H12	1.066	-2.174	0.000
H13	-0.689	-2.070	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1770	1.5167	1.5503	2.6037	1.0815	3.0691	1.0836	2.7870	2.9305	3.5468	2.2521	2.2011
C2	2.1770		1.5167	1.5503	2.6037	3.0691	1.0815	2.7870	1.0836	3.5468	2.9305	2.2521	2.2011
C3	1.5167	1.5167		2.1325	1.3105	2.2246	2.2246	2.1732	2.1732	2.0836	2.0836	3.0228	2.7453
C4	1.5503	1.5503	2.1325		3.4210	2.2606	2.2606	2.2067	2.2067	4.0805	4.0805	1.0805	1.0813
C5	2.6037	2.6037	1.3105	3.4210		2.9928	2.9928	3.1272	3.1272	1.0746	1.0746	4.3334	3.8960
H6	1.0815	3.0691	2.2246	2.2606	2.9928		3.7896	1.7587	3.8171	3.0135	4.0038	2.9739	2.4762
H7	3.0691	1.0815	2.2246	2.2606	2.9928	3.7896		3.8171	1.7587	4.0038	3.0135	2.9739	2.4762
H8	1.0836	2.7870	2.1732	2.2067	3.1272	1.7587	3.8171		3.0286	3.3255	4.0759	2.4724	3.0496
H9	2.7870	1.0836	2.1732	2.2067	3.1272	3.8171	1.7587	3.0286		4.0759	3.3255	2.4724	3.0496
H10	2.9305	3.5468	2.0836	4.0805	1.0746	3.0135	4.0038	3.3255	4.0759		1.8338	4.9790	4.5087
H11	3.5468	2.9305	2.0836	4.0805	1.0746	4.0038	3.0135	4.0759	3.3255	1.8338		4.9790	4.5087
H12	2.2521	2.2521	3.0228	1.0805	4.3334	2.9739	2.9739	2.4724	2.4724	4.9790	4.9790		1.7578
H13	2.2011	2.2011	2.7453	1.0813	3.8960	2.4762	2.4762	3.0496	3.0496	4.5087	4.5087	1.7578

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.727	C1	C3	C5	134.002
C1	C4	C2	89.196	C1	C4	H12	116.622
C1	C4	H13	112.301	C2	C3	C5	134.002
C2	C4	H12	116.622	C2	C4	H13	112.301
C3	C1	C4	88.097	C3	C1	H6	116.797
C3	C1	H8	112.316	C3	C2	C4	88.097
C3	C2	H7	116.797	C3	C2	H9	112.316
C3	C5	H10	121.435	C3	C5	H11	121.435
C4	C1	H6	117.291	C4	C1	H8	112.615
C4	C2	H7	117.291	C4	C2	H9	112.615
H6	C1	H8	108.639	H7	C2	H9	108.639
H10	C5	H11	117.129	H12	C4	H13	108.797

All results from a given calculation for C₅H₈ (Cyclobutane, methylene-)

using model chemistry: HF/Def2TZVPP

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	-0.010
2	C	-0.010
3	C	-0.119
4	C	-0.106
5	C	-0.174
6	H	0.050
7	H	0.050
8	H	0.049
9	H	0.049
10	H	0.061
11	H	0.061
12	H	0.055
13	H	0.046

	x	y	z	Total
	0.217	-0.586	0.000	0.625
CHELPG
AIM
ESP

	x	y	z
x	7.075	-1.410	0.000
y	-1.410	10.117	0.000
z	0.000	0.000	7.841

<r²>	115.061
(<r²>)^1/2	10.727

All results from a given calculation for C5H8 (Cyclobutane, methylene-)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₅H₈ (Cyclobutane, methylene-)