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	hartrees
Energy at 0K	-195.380033
Energy at 298.15K	-195.388510
HF Energy	-195.380033
Nuclear repulsion energy	167.818537

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3123	3024	9.73
2	A'	3112	3013	47.70
3	A'	3078	2980	17.10
4	A'	3057	2960	46.88
5	A'	3030	2934	13.55
6	A'	1737	1682	25.82
7	A'	1505	1457	0.08
8	A'	1481	1434	1.74
9	A'	1449	1403	0.67
10	A'	1260	1220	0.19
11	A'	1224	1185	0.39
12	A'	1092	1057	0.88
13	A'	969	938	0.40
14	A'	909	880	41.00
15	A'	889	861	0.72
16	A'	742	719	1.71
17	A'	658	637	2.03
18	A'	381	369	6.18
19	A'	112	108	0.11
20	A"	3201	3100	14.10
21	A"	3081	2984	24.27
22	A"	3026	2930	47.96
23	A"	1466	1419	3.02
24	A"	1282	1242	0.08
25	A"	1243	1204	0.04
26	A"	1223	1184	0.50
27	A"	1185	1147	1.43
28	A"	1040	1007	0.13
29	A"	922	893	0.79
30	A"	910	881	1.30
31	A"	803	778	0.07
32	A"	638	618	0.08
33	A"	355	344	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.231	-0.392	1.092
C2	0.231	-0.392	-1.092
C3	-0.105	0.612	0.000
C4	0.231	-1.501	0.000
C5	-0.616	1.836	0.000
H6	-0.487	-0.492	1.908
H7	-0.487	-0.492	-1.908
H8	1.223	-0.226	1.520
H9	1.223	-0.226	-1.520
H10	-0.838	2.359	0.924
H11	-0.838	2.359	-0.924
H12	1.077	-2.187	0.000
H13	-0.693	-2.079	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1836	1.5209	1.5561	2.6212	1.0915	3.0864	1.0935	2.7992	2.9553	3.5736	2.2654	2.2122
C2	2.1836		1.5209	1.5561	2.6212	3.0864	1.0915	2.7992	1.0935	3.5736	2.9553	2.2654	2.2122
C3	1.5209	1.5209		2.1394	1.3257	2.2375	2.2375	2.1862	2.1862	2.1072	2.1072	3.0390	2.7552
C4	1.5561	1.5561	2.1394		3.4420	2.2748	2.2748	2.2181	2.2181	4.1096	4.1096	1.0900	1.0901
C5	2.6212	2.6212	1.3257	3.4420		3.0125	3.0125	3.1537	3.1537	1.0849	1.0849	4.3647	3.9159
H6	1.0915	3.0864	2.2375	2.2748	3.0125		3.8169	1.7729	3.8406	3.0357	4.0338	2.9937	2.4912
H7	3.0864	1.0915	2.2375	2.2748	3.0125	3.8169		3.8406	1.7729	4.0338	3.0357	2.9937	2.4912
H8	1.0935	2.7992	2.1862	2.2181	3.1537	1.7729	3.8406		3.0409	3.3593	4.1117	2.4854	3.0687
H9	2.7992	1.0935	2.1862	2.2181	3.1537	3.8406	1.7729	3.0409		4.1117	3.3593	2.4854	3.0687
H10	2.9553	3.5736	2.1072	4.1096	1.0849	3.0357	4.0338	3.3593	4.1117		1.8487	5.0185	4.5356
H11	3.5736	2.9553	2.1072	4.1096	1.0849	4.0338	3.0357	4.1117	3.3593	1.8487		5.0185	4.5356
H12	2.2654	2.2654	3.0390	1.0900	4.3647	2.9937	2.9937	2.4854	2.4854	5.0185	5.0185		1.7735
H13	2.2122	2.2122	2.7552	1.0901	3.9159	2.4912	2.4912	3.0687	3.0687	4.5356	4.5356	1.7735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.758	C1	C3	C5	133.975
C1	C4	C2	89.111	C1	C4	H12	116.667
C1	C4	H13	112.238	C2	C3	C5	133.975
C2	C4	H12	116.667	C2	C4	H13	112.238
C3	C1	C4	88.095	C3	C1	H6	116.897
C3	C1	H8	112.463	C3	C2	C4	88.095
C3	C2	H7	116.897	C3	C2	H9	112.463
C3	C5	H10	121.569	C3	C5	H11	121.569
C4	C1	H6	117.370	C4	C1	H8	112.508
C4	C2	H7	117.370	C4	C2	H9	112.508
H6	C1	H8	108.468	H7	C2	H9	108.468
H10	C5	H11	116.860	H12	C4	H13	108.880

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

using model chemistry: TPSSh/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	-0.100
2	C	-0.100
3	C	-0.008
4	C	-0.097
5	C	-0.218
6	H	0.059
7	H	0.059
8	H	0.059
9	H	0.059
10	H	0.084
11	H	0.084
12	H	0.056
13	H	0.060

	x	y	z	Total
	0.209	-0.520	0.000	0.561
CHELPG
AIM
ESP

	x	y	z
x	7.238	-1.690	0.000
y	-1.690	10.213	0.000
z	0.000	0.000	8.341

<r²>	115.662
(<r²>)^1/2	10.755

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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