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	hartrees
Energy at 0K	-117.652628
Energy at 298.15K	-117.659016
HF Energy	-117.101876
Nuclear repulsion energy	75.894323

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3179	3042	0.00
2	A₁'	1549	1482	0.00
3	A₁'	1231	1178	0.00
4	A₁"	1168	1118	0.00
5	A₂'	1103	1055	0.00
6	A₂"	3270	3129	24.06
7	A₂"	859	822	0.30
8	E'	3168	3031	17.67
8	E'	3168	3031	17.67
9	E'	1493	1429	0.76
9	E'	1493	1429	0.76
10	E'	1071	1025	7.20
10	E'	1071	1025	7.20
11	E'	907	868	20.65
11	E'	907	868	20.65
12	E"	3250	3110	0.00
12	E"	3250	3110	0.00
13	E"	1226	1173	0.00
13	E"	1226	1173	0.00
14	E"	745	713	0.00
14	E"	745	713	0.00

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	1.451	0.910
H5	1.257	-0.726	0.910
H6	-1.257	-0.726	0.910
H7	0.000	1.451	-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	1.0798	2.2247	2.2247	1.0798	2.2247	2.2247
C2	1.5053		1.5053	2.2247	1.0798	2.2247	2.2247	1.0798	2.2247
C3	1.5053	1.5053		2.2247	2.2247	1.0798	2.2247	2.2247	1.0798
H4	1.0798	2.2247	2.2247		2.5133	2.5133	1.8192	3.1026	3.1026
H5	2.2247	1.0798	2.2247	2.5133		2.5133	3.1026	1.8192	3.1026
H6	2.2247	2.2247	1.0798	2.5133	2.5133		3.1026	3.1026	1.8192
H7	1.0798	2.2247	2.2247	1.8192	3.1026	3.1026		2.5133	2.5133
H8	2.2247	1.0798	2.2247	3.1026	1.8192	3.1026	2.5133		2.5133
H9	2.2247	2.2247	1.0798	3.1026	3.1026	1.8192	2.5133	2.5133

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.823
C1	C2	H8	117.823	C1	C3	C2	60.000
C1	C3	H6	117.823	C1	C3	H9	117.823
C2	C1	C3	60.000	C2	C1	H4	117.823
C2	C1	H7	117.823	C2	C3	H6	117.823
C2	C3	H9	117.823	C3	C1	H4	117.823
C3	C1	H7	117.823	C3	C2	H5	117.823
C3	C2	H8	117.823	H4	C1	H7	114.776
H5	C2	H8	114.776	H6	C3	H9	114.776

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CCD/aug-cc-pVTZ

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: CCD/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)