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	hartrees
Energy at 0K	-154.391192
Energy at 298.15K
HF Energy	-153.986964
Nuclear repulsion energy	106.560939

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3282	3181	0.07
2	A'	3095	3000	28.67
3	A'	3093	2998	20.16
4	A'	3021	2928	18.03
5	A'	1791	1735	8.51
6	A'	1574	1525	4.30
7	A'	1567	1519	7.38
8	A'	1475	1429	0.71
9	A'	1192	1155	5.63
10	A'	1122	1087	1.31
11	A'	1092	1059	51.02
12	A'	963	933	1.32
13	A'	909	881	4.97
14	A'	612	593	0.07
15	A'	326	316	1.64
16	A"	3174	3076	36.78
17	A"	3074	2980	14.46
18	A"	1562	1514	6.92
19	A"	1134	1099	0.17
20	A"	1081	1047	2.12
21	A"	1025	993	1.84
22	A"	732	710	37.82
23	A"	295	286	13.04
24	A"	132	128	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.179	0.000
C2	-0.118	-1.370	0.000
C3	1.146	-0.461	0.000
C4	-0.775	1.458	0.000
H5	-0.403	-1.878	0.921
H6	-0.403	-1.878	-0.921
H7	2.222	-0.433	0.000
H8	-0.094	2.321	0.000
H9	-1.420	1.514	-0.890
H10	-1.420	1.514	0.890

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5534	1.3127	1.4953	2.2895	2.2895	2.3051	2.1439	2.1424	2.1424
C2	1.5534		1.5565	2.9030	1.0900	1.0900	2.5209	3.6908	3.2867	3.2867
C3	1.3127	1.5565		2.7152	2.2920	2.2920	1.0769	3.0461	3.3582	3.3582
C4	1.4953	2.9030	2.7152		3.4805	3.4805	3.5438	1.0991	1.1007	1.1007
H5	2.2895	1.0900	2.2920	3.4805		1.8429	3.1349	4.3096	3.9772	3.5409
H6	2.2895	1.0900	2.2920	3.4805	1.8429		3.1349	4.3096	3.5409	3.9772
H7	2.3051	2.5209	1.0769	3.5438	3.1349	3.1349		3.5986	4.2249	4.2249
H8	2.1439	3.6908	3.0461	1.0991	4.3096	4.3096	3.5986		1.7893	1.7893
H9	2.1424	3.2867	3.3582	1.1007	3.9772	3.5409	4.2249	1.7893		1.7798
H10	2.1424	3.2867	3.3582	1.1007	3.5409	3.9772	4.2249	1.7893	1.7798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	49.933	H1	C2	C6	118.979
C2	C3	C6	24.591	C2	C3	C10	73.907
C2	C6	C3	36.458	C2	C6	H4	50.024
C2	C6	H5	32.289	C3	C2	C6	118.951
C3	C6	H4	51.212	C3	C6	H5	66.295
C3	C10	H7	9.734	C3	C10	H8	64.359
C3	C10	H9	74.633	H4	C6	H5	74.648
C6	C3	C10	87.347	H7	C10	H8	57.601
H7	C10	H9	77.841	H8	C10	H9	60.176

All results from a given calculation for C₄H₆ (1-Methylcyclopropene)

using model chemistry: QCISD/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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All results from a given calculation for C4H6 (1-Methylcyclopropene)

using model chemistry: QCISD/3-21G

States and conformations

All results from a given calculation for C₄H₆ (1-Methylcyclopropene)