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	hartrees
Energy at 0K	-117.612621
Energy at 298.15K	-117.618989
HF Energy	-117.074220
Nuclear repulsion energy	75.613299

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3186	3186
2	A₁'	1534	1534
3	A₁'	1223	1223
4	A₁"	1170	1170
5	A₂'	1095	1095
6	A₂"	3279	3279
7	A₂"	856	856
8	E'	3176	3176
8	E'	3175	3175
9	E'	1484	1484
9	E'	1483	1483
10	E'	1072	1072
10	E'	1072	1072
11	E'	906	906
11	E'	906	906
12	E"	3260	3260
12	E"	3260	3260
13	E"	1222	1222
13	E"	1222	1222
14	E"	740	740
14	E"	740	740

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.872	0.000
C2	0.756	-0.436	0.000
C3	-0.756	-0.436	0.000
H4	0.000	1.458	0.912
H5	1.262	-0.729	0.912
H6	-1.262	-0.729	0.912
H7	0.000	1.458	-0.912
H8	1.262	-0.729	-0.912
H9	-1.262	-0.729	-0.912

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5110	1.5110	1.0834	2.2336	2.2336	1.0834	2.2336	2.2336
C2	1.5110		1.5110	2.2336	1.0834	2.2336	2.2336	1.0834	2.2336
C3	1.5110	1.5110		2.2336	2.2336	1.0834	2.2336	2.2336	1.0834
H4	1.0834	2.2336	2.2336		2.5249	2.5249	1.8234	3.1145	3.1145
H5	2.2336	1.0834	2.2336	2.5249		2.5249	3.1145	1.8234	3.1145
H6	2.2336	2.2336	1.0834	2.5249	2.5249		3.1145	3.1145	1.8234
H7	1.0834	2.2336	2.2336	1.8234	3.1145	3.1145		2.5249	2.5249
H8	2.2336	1.0834	2.2336	3.1145	1.8234	3.1145	2.5249		2.5249
H9	2.2336	2.2336	1.0834	3.1145	3.1145	1.8234	2.5249	2.5249

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.898
C1	C2	H8	117.898	C1	C3	C2	60.000
C1	C3	H6	117.898	C1	C3	H9	117.898
C2	C1	C3	60.000	C2	C1	H4	117.898
C2	C1	H7	117.898	C2	C3	H6	117.898
C2	C3	H9	117.898	C3	C1	H4	117.898
C3	C1	H7	117.898	C3	C2	H5	117.898
C3	C2	H8	117.898	H4	C1	H7	114.594
H5	C2	H8	114.594	H6	C3	H9	114.594

All results from a given calculation for C₃H₆ (Cyclopropane)

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

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)