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	hartrees
Energy at 0K	-155.046887
Energy at 298.15K	-155.052726
Nuclear repulsion energy	108.962955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3153	3025	0.51
2	A₁	3151	3023	16.61
3	A₁	1856	1781	3.57
4	A₁	1521	1459	0.06
5	A₁	1491	1431	1.69
6	A₁	1070	1027	16.91
7	A₁	1034	992	1.22
8	A₁	726	697	6.35
9	A₂	3229	3098	0.00
10	A₂	1180	1133	0.00
11	A₂	983	943	0.00
12	A₂	641	615	0.00
13	B₁	3244	3112	9.98
14	B₁	1132	1086	0.05
15	B₁	957	918	55.49
16	B₁	779	747	2.42
17	B₁	329	316	6.48
18	B₂	3232	3100	10.72
19	B₂	3149	3021	7.86
20	B₂	1486	1426	3.49
21	B₂	1177	1129	14.23
22	B₂	1108	1063	6.65
23	B₂	901	865	10.74
24	B₂	369	354	0.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.637
C2	0.000	0.000	0.322
H3	0.000	0.927	2.205
H4	0.000	-0.927	2.205
C5	0.000	0.778	-0.935
C6	0.000	-0.778	-0.935
H7	0.918	1.275	-1.235
H8	-0.918	1.275	-1.235
H9	-0.918	-1.275	-1.235
H10	0.918	-1.275	-1.235

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10
C1		1.3157	1.0870	1.0870	2.6875	2.6875	3.2739	3.2739	3.2739	3.2739
C2	1.3157		2.0989	2.0989	1.4780	1.4780	2.2118	2.2118	2.2118	2.2118
H3	1.0870	2.0989		1.8545	3.1434	3.5729	3.5769	3.5769	4.1862	4.1862
H4	1.0870	2.0989	1.8545		3.5729	3.1434	4.1862	4.1862	3.5769	3.5769
C5	2.6875	1.4780	3.1434	3.5729		1.5558	1.0864	1.0864	2.2691	2.2691
C6	2.6875	1.4780	3.5729	3.1434	1.5558		2.2691	2.2691	1.0864	1.0864
H7	3.2739	2.2118	3.5769	4.1862	1.0864	2.2691		1.8363	3.1430	2.5508
H8	3.2739	2.2118	3.5769	4.1862	1.0864	2.2691	1.8363		2.5508	3.1430
H9	3.2739	2.2118	4.1862	3.5769	2.2691	1.0864	3.1430	2.5508		1.8363
H10	3.2739	2.2118	4.1862	3.5769	2.2691	1.0864	2.5508	3.1430	1.8363

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	148.244	C1	C2	C6	148.244
C2	C1	H3	121.463	C2	C1	H4	121.463
C2	C5	C6	58.244	C2	C5	H7	118.394
C2	C5	H8	118.394	C2	C6	C5	58.244
C2	C6	H9	118.394	C2	C6	H10	118.394
H3	C1	H4	117.074	C5	C2	C6	63.511
C5	C6	H9	117.254	C5	C6	H10	117.254
C6	C5	H7	117.254	C6	C5	H8	117.254
H7	C5	H8	115.369	H9	C6	H10	115.369

All results from a given calculation for C₄H₆ (Methylenecyclopropane)

using model chemistry: B3PW91/3-21G*

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
1	C	-0.559
2	C	-0.025
3	H	0.210
4	H	0.210
5	C	-0.398
6	C	-0.398
7	H	0.240
8	H	0.240
9	H	0.240
10	H	0.240

<r²>	77.121
(<r²>)^1/2	8.782

All results from a given calculation for C4H6 (Methylenecyclopropane)

using model chemistry: B3PW91/3-21G*

States and conformations

All results from a given calculation for C₄H₆ (Methylenecyclopropane)