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	hartrees
Energy at 0K	-117.741679
Energy at 298.15K	-117.748037
HF Energy	-117.099462
Nuclear repulsion energy	75.867618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3151	3151
2	A₁'	1528	1528
3	A₁'	1221	1221
4	A₁"	1163	1163
5	A₂'	1089	1089
6	A₂"	3248	3248
7	A₂"	857	857
8	E'	3141	3141
8	E'	3141	3141
9	E'	1477	1477
9	E'	1477	1477
10	E'	1055	1055
10	E'	1055	1055
11	E'	899	899
11	E'	899	899
12	E"	3229	3229
12	E"	3229	3229
13	E"	1216	1216
13	E"	1216	1216
14	E"	742	742
14	E"	741	741

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.869	0.000
C2	0.753	-0.435	0.000
C3	-0.753	-0.435	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		1.5053	1.5053	1.0809	2.2257	2.2257	1.0809	2.2257	2.2257
C2	1.5053		1.5053	2.2257	1.0810	2.2257	2.2257	1.0810	2.2257
C3	1.5053	1.5053		2.2257	2.2257	1.0810	2.2257	2.2257	1.0810
H4	1.0809	2.2257	2.2257		2.5147	2.5147	1.8208	3.1047	3.1047
H5	2.2257	1.0810	2.2257	2.5147		2.5147	3.1047	1.8208	3.1047
H6	2.2257	2.2257	1.0810	2.5147	2.5147		3.1047	3.1047	1.8208
H7	1.0809	2.2257	2.2257	1.8208	3.1047	3.1047		2.5147	2.5147
H8	2.2257	1.0810	2.2257	3.1047	1.8208	3.1047	2.5147		2.5147
H9	2.2257	2.2257	1.0810	3.1047	3.1047	1.8208	2.5147	2.5147

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.832
C1	C2	H8	117.832	C1	C3	C2	60.000
C1	C3	H6	117.832	C1	C3	H9	117.832
C2	C1	C3	60.000	C2	C1	H4	117.832
C2	C1	H7	117.832	C2	C3	H6	117.832
C2	C3	H9	117.832	C3	C1	H4	117.832
C3	C1	H7	117.832	C3	C2	H5	117.832
C3	C2	H8	117.832	H4	C1	H7	114.755
H5	C2	H8	114.755	H6	C3	H9	114.755

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: MP4=FULL/6-311+G(3df,2pd)

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=FULL/6-311+G(3df,2pd)

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)