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	hartrees
Energy at 0K	-117.558826
Energy at 298.15K
HF Energy	-117.074562
Nuclear repulsion energy	75.884900

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁'	3221	3042	0.00	211.39	0.04	0.08
2	A₁'	1539	1454	0.00	4.14	0.74	0.85
3	A₁'	1245	1176	0.00	27.92	0.08	0.15
4	A₁"	1179	1114	0.00	0.00	0.75	0.86
5	A₂'	1095	1034	0.00	0.00	0.00	0.00
6	A₂"	3324	3140	12.51	0.00	0.00	0.00
7	A₂"	867	819	0.47	0.00	0.75	0.86
8	E'	3213	3035	12.06	16.51	0.75	0.86
8	E'	3213	3035	12.06	16.51	0.75	0.86
9	E'	1490	1407	0.61	7.53	0.75	0.86
9	E'	1490	1407	0.61	7.53	0.75	0.86
10	E'	1070	1010	9.07	0.00	0.75	0.86
10	E'	1070	1010	9.07	0.00	0.75	0.86
11	E'	926	875	15.21	11.55	0.75	0.86
11	E'	926	875	15.21	11.55	0.75	0.86
12	E"	3307	3123	0.00	75.94	0.75	0.86
12	E"	3307	3123	0.00	75.94	0.75	0.86
13	E"	1226	1158	0.00	8.65	0.75	0.86
13	E"	1226	1158	0.00	8.65	0.75	0.86
14	E"	745	703	0.00	2.03	0.75	0.86
14	E"	745	703	0.00	2.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.869	0.000
C2	0.752	-0.434	0.000
C3	-0.752	-0.434	0.000
H4	0.000	1.452	0.910
H5	1.257	-0.726	0.910
H6	-1.257	-0.726	0.910
H7	0.000	1.452	-0.910
H8	1.257	-0.726	-0.910
H9	-1.257	-0.726	-0.910

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5047	1.5047	1.0810	2.2252	2.2252	1.0810	2.2252	2.2252
C2	1.5047		1.5047	2.2252	1.0810	2.2252	2.2252	1.0810	2.2252
C3	1.5047	1.5047		2.2252	2.2252	1.0810	2.2252	2.2252	1.0810
H4	1.0810	2.2252	2.2252		2.5142	2.5142	1.8208	3.1043	3.1043
H5	2.2252	1.0810	2.2252	2.5142		2.5142	3.1043	1.8208	3.1043
H6	2.2252	2.2252	1.0810	2.5142	2.5142		3.1043	3.1043	1.8208
H7	1.0810	2.2252	2.2252	1.8208	3.1043	3.1043		2.5142	2.5142
H8	2.2252	1.0810	2.2252	3.1043	1.8208	3.1043	2.5142		2.5142
H9	2.2252	2.2252	1.0810	3.1043	3.1043	1.8208	2.5142	2.5142

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.835
C1	C2	H8	117.835	C1	C3	C2	60.000
C1	C3	H6	117.835	C1	C3	H9	117.835
C2	C1	C3	60.000	C2	C1	H4	117.835
C2	C1	H7	117.835	C2	C3	H6	117.835
C2	C3	H9	117.835	C3	C1	H4	117.835
C3	C1	H7	117.835	C3	C2	H5	117.835
C3	C2	H8	117.835	H4	C1	H7	114.746
H5	C2	H8	114.746	H6	C3	H9	114.746

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: MP2/6-31G(2df,p)

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 C3H6 (Cyclopropane)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)