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	hartrees
Energy at 0K	-194.011138
Energy at 298.15K	-194.019935
Nuclear repulsion energy	168.622063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3272	2979	8.70
2	A'	3248	2957	69.83
3	A'	3221	2932	17.20
4	A'	3195	2909	47.77
5	A'	3177	2893	14.96
6	A'	1879	1710	35.67
7	A'	1625	1479	0.19
8	A'	1595	1452	2.42
9	A'	1557	1417	1.08
10	A'	1384	1260	2.72
11	A'	1326	1207	0.68
12	A'	1197	1090	0.87
13	A'	1030	938	42.31
14	A'	1025	933	13.57
15	A'	952	867	0.27
16	A'	794	723	1.10
17	A'	712	648	2.66
18	A'	419	382	7.91
19	A'	113	103	0.07
20	A"	3348	3048	14.90
21	A"	3226	2937	24.72
22	A"	3175	2890	55.20
23	A"	1585	1443	3.94
24	A"	1404	1279	0.05
25	A"	1356	1235	0.12
26	A"	1328	1209	0.25
27	A"	1295	1179	1.00
28	A"	1125	1024	0.13
29	A"	983	895	1.07
30	A"	979	891	1.54
31	A"	871	793	0.02
32	A"	693	631	0.07
33	A"	382	347	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.246	-0.383	1.087
C2	0.246	-0.383	-1.087
C3	-0.114	0.611	0.000
C4	0.246	-1.488	0.000
C5	-0.657	1.805	0.000
H6	-0.449	-0.488	1.909
H7	-0.449	-0.488	-1.909
H8	1.236	-0.203	1.490
H9	1.236	-0.203	-1.490
H10	-0.891	2.315	0.917
H11	-0.891	2.315	-0.917
H12	1.082	-2.173	0.000
H13	-0.673	-2.057	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1747	1.5167	1.5504	2.6050	1.0815	3.0777	1.0840	2.7671	2.9319	3.5476	2.2552	2.1983
C2	2.1747		1.5167	1.5504	2.6050	3.0777	1.0815	2.7671	1.0840	3.5476	2.9319	2.2552	2.1983
C3	1.5167	1.5167		2.1300	1.3117	2.2282	2.2282	2.1701	2.1701	2.0844	2.0844	3.0304	2.7267
C4	1.5504	1.5504	2.1300		3.4150	2.2643	2.2643	2.2026	2.2026	4.0734	4.0734	1.0807	1.0816
C5	2.6050	2.6050	1.3117	3.4150		2.9912	2.9912	3.1373	3.1373	1.0748	1.0748	4.3419	3.8628
H6	1.0815	3.0777	2.2282	2.2643	2.9912		3.8178	1.7600	3.8049	3.0054	4.0046	2.9711	2.4813
H7	3.0777	1.0815	2.2282	2.2643	2.9912	3.8178		3.8049	1.7600	4.0046	3.0054	2.9711	2.4813
H8	1.0840	2.7671	2.1701	2.2026	3.1373	1.7600	3.8049		2.9806	3.3455	4.0818	2.4746	3.0505
H9	2.7671	1.0840	2.1701	2.2026	3.1373	3.8049	1.7600	2.9806		4.0818	3.3455	2.4746	3.0505
H10	2.9319	3.5476	2.0844	4.0734	1.0748	3.0054	4.0046	3.3455	4.0818		1.8346	4.9870	4.4724
H11	3.5476	2.9319	2.0844	4.0734	1.0748	4.0046	3.0054	4.0818	3.3455	1.8346		4.9870	4.4724
H12	2.2552	2.2552	3.0304	1.0807	4.3419	2.9711	2.9711	2.4746	2.4746	4.9870	4.9870		1.7591
H13	2.1983	2.1983	2.7267	1.0816	3.8628	2.4813	2.4813	3.0505	3.0505	4.4724	4.4724	1.7591

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.601	C1	C3	C5	134.026
C1	C4	C2	89.063	C1	C4	H12	116.864
C1	C4	H13	112.046	C2	C3	C5	134.026
C2	C4	H12	116.864	C2	C4	H13	112.046
C3	C1	C4	87.962	C3	C1	H6	117.107
C3	C1	H8	112.040	C3	C2	C4	87.962
C3	C2	H7	117.107	C3	C2	H9	112.040
C3	C5	H10	121.405	C3	C5	H11	121.405
C4	C1	H6	117.599	C4	C1	H8	112.246
C4	C2	H7	117.599	C4	C2	H9	112.246
H6	C1	H8	108.727	H7	C2	H9	108.727
H10	C5	H11	117.190	H12	C4	H13	108.890

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

using model chemistry: HF/aug-cc-pVTZ

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	-0.690
2	C	-0.690
3	C	0.764
4	C	-0.584
5	C	-1.110
6	H	0.307
7	H	0.307
8	H	0.242
9	H	0.242
10	H	0.305
11	H	0.305
12	H	0.380
13	H	0.221

	x	y	z	Total
	0.223	-0.588	0.000	0.629
CHELPG
AIM
ESP

	x	y	z
x	7.407	-1.340	0.000
y	-1.340	10.379	0.000
z	0.000	0.000	8.126

<r²>	115.105
(<r²>)^1/2	10.729

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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