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	hartrees
Energy at 0K	-156.730118
Energy at 298.15K	-156.738744
HF Energy	-156.106265
Nuclear repulsion energy	123.527934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3288	3092	21.41
2	A'	3207	3016	15.98
3	A'	3192	3002	11.89
4	A'	3163	2975	18.56
5	A'	3081	2897	30.72
6	A'	1540	1448	1.22
7	A'	1504	1414	7.11
8	A'	1448	1362	2.16
9	A'	1400	1317	2.57
10	A'	1248	1173	0.14
11	A'	1224	1150	0.06
12	A'	1078	1014	3.41
13	A'	1020	959	9.63
14	A'	947	891	1.99
15	A'	811	762	6.42
16	A'	780	734	1.02
17	A'	363	341	0.24
18	A"	3275	3079	0.21
19	A"	3184	2994	17.16
20	A"	3165	2976	27.32
21	A"	1496	1407	1.73
22	A"	1472	1384	1.78
23	A"	1205	1133	0.49
24	A"	1159	1089	0.19
25	A"	1119	1052	3.49
26	A"	1083	1018	0.91
27	A"	901	847	8.28
28	A"	825	776	3.82
29	A"	343	323	0.50
30	A"	230	216	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.350	0.409	0.000
C2	-0.889	1.282	0.000
H3	1.300	0.954	0.000
C4	0.350	-0.902	0.760
C5	0.350	-0.902	-0.760
H6	1.265	-1.206	1.273
H7	1.265	-1.206	-1.273
H8	-0.575	-1.190	1.266
H9	-0.575	-1.190	-1.266
H10	-1.800	0.659	0.000
H11	-0.924	1.928	0.893
H12	-0.924	1.928	-0.893

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5160	1.0950	1.5147	1.5147	2.2509	2.2509	2.2396	2.2396	2.1650	2.1745	2.1745
C2	1.5160		2.2135	2.6229	2.6229	3.5288	3.5288	2.7946	2.7946	1.1034	1.1031	1.1031
H3	1.0950	2.2135		2.2188	2.2188	2.5080	2.5080	3.1172	3.1172	3.1141	2.5863	2.5863
C4	1.5147	2.6229	2.2188		1.5195	1.0925	2.2499	1.0937	2.2456	2.7635	3.1060	3.5159
C5	1.5147	2.6229	2.2188	1.5195		2.2499	1.0925	2.2456	1.0937	2.7635	3.5159	3.1060
H6	2.2509	3.5288	2.5080	1.0925	2.2499		2.5458	1.8408	3.1358	3.8075	3.8419	4.3940
H7	2.2509	3.5288	2.5080	2.2499	1.0925	2.5458		3.1358	1.8408	3.8075	4.3940	3.8419
H8	2.2396	2.7946	3.1172	1.0937	2.2456	1.8408	3.1358		2.5314	2.5537	3.1597	3.8086
H9	2.2396	2.7946	3.1172	2.2456	1.0937	3.1358	1.8408	2.5314		2.5537	3.8086	3.1597
H10	2.1650	1.1034	3.1141	2.7635	2.7635	3.8075	3.8075	2.5537	2.5537		1.7825	1.7825
H11	2.1745	1.1031	2.5863	3.1060	3.5159	3.8419	4.3940	3.1597	3.8086	1.7825		1.7860
H12	2.1745	1.1031	2.5863	3.5159	3.1060	4.3940	3.8419	3.8086	3.1597	1.7825	1.7860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.500	C1	C2	H11	111.272
C1	C2	H12	111.272	C1	C4	H5	59.895
C1	C4	H6	118.486	C1	C4	H8	117.410
C1	H5	C4	59.895	C1	H5	H7	118.486
C1	H5	H9	117.410	C2	C1	C3	114.979
C2	C1	C4	119.867	C2	C1	H5	119.867
C3	C1	C4	115.527	C3	C1	H5	115.527
C4	C1	H5	60.210	C4	H5	H7	118.015
C4	H5	H9	117.557	H5	C4	H6	118.015
H5	C4	H8	117.557	H6	C4	H8	114.707
H7	H5	H9	114.707	H10	C2	H11	107.772
H10	C2	H12	107.772	H11	C2	H12	108.108

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: MP3=FULL/cc-pVDZ

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 C4H8 (methylcyclopropane)

using model chemistry: MP3=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)