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	hartrees
Energy at 0K	-117.564059
Energy at 298.15K	-117.570372
HF Energy	-117.069722
Nuclear repulsion energy	74.897579

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3171	3097
2	A₁'	1568	1531
3	A₁'	1243	1214
4	A₁"	1184	1157
5	A₂'	1107	1081
6	A₂"	3260	3184
7	A₂"	875	855
8	E'	3161	3088
8	E'	3161	3088
9	E'	1515	1480
9	E'	1514	1479
10	E'	1101	1075
10	E'	1100	1075
11	E'	913	892
11	E'	913	892
12	E"	3241	3166
12	E"	3241	3166
13	E"	1241	1212
13	E"	1241	1212
14	E"	760	742
14	E"	760	742

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.881	0.000
C2	0.763	-0.440	0.000
C3	-0.763	-0.440	0.000
H4	0.000	1.469	0.923
H5	1.272	-0.735	0.923
H6	-1.272	-0.735	0.923
H7	0.000	1.469	-0.923
H8	1.272	-0.735	-0.923
H9	-1.272	-0.735	-0.923

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5254	1.5254	1.0945	2.2539	2.2539	1.0945	2.2539	2.2539
C2	1.5254		1.5254	2.2539	1.0945	2.2539	2.2539	1.0945	2.2539
C3	1.5254	1.5254		2.2539	2.2539	1.0945	2.2539	2.2539	1.0945
H4	1.0945	2.2539	2.2539		2.5449	2.5449	1.8456	3.1437	3.1437
H5	2.2539	1.0945	2.2539	2.5449		2.5449	3.1437	1.8456	3.1437
H6	2.2539	2.2539	1.0945	2.5449	2.5449		3.1437	3.1437	1.8456
H7	1.0945	2.2539	2.2539	1.8456	3.1437	3.1437		2.5449	2.5449
H8	2.2539	1.0945	2.2539	3.1437	1.8456	3.1437	2.5449		2.5449
H9	2.2539	2.2539	1.0945	3.1437	3.1437	1.8456	2.5449	2.5449

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.758
C1	C2	H8	117.758	C1	C3	C2	60.000
C1	C3	H6	117.758	C1	C3	H9	117.758
C2	C1	C3	60.000	C2	C1	H4	117.758
C2	C1	H7	117.758	C2	C3	H6	117.758
C2	C3	H9	117.758	C3	C1	H4	117.758
C3	C1	H7	117.758	C3	C2	H5	117.758
C3	C2	H8	117.758	H4	C1	H7	114.933
H5	C2	H8	114.933	H6	C3	H9	114.933

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: MP4/aug-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 C3H6 (Cyclopropane)

using model chemistry: MP4/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)