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	hartrees
Energy at 0K	-117.787007
Energy at 298.15K
HF Energy	-117.787007
Nuclear repulsion energy	75.079245

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'	3114	3114	0.00	253.36	0.04	0.07
2	A₁'	1519	1519	0.00	8.36	0.62	0.76
3	A₁'	1199	1199	0.00	28.31	0.07	0.13
4	A₁"	1145	1145	0.00	0.00	0.75	0.86
5	A₂'	1111	1111	0.00	0.00	0.75	0.86
6	A₂"	3211	3211	58.43	0.00	0.75	0.86
7	A₂"	871	871	0.99	0.00	0.75	0.86
8	E'	3104	3104	33.55	21.42	0.75	0.86
8	E'	3104	3104	33.55	21.42	0.75	0.86
9	E'	1495	1495	1.47	10.62	0.75	0.86
9	E'	1495	1495	1.47	10.62	0.75	0.86
10	E'	1069	1069	18.15	0.13	0.75	0.86
10	E'	1069	1069	18.15	0.13	0.75	0.86
11	E'	873	873	17.70	15.91	0.75	0.86
11	E'	873	873	17.70	15.91	0.75	0.86
12	E"	3185	3185	0.00	99.89	0.75	0.86
12	E"	3185	3185	0.00	99.89	0.75	0.86
13	E"	1216	1216	0.00	12.38	0.75	0.86
13	E"	1216	1216	0.00	12.38	0.75	0.86
14	E"	757	757	0.00	3.43	0.75	0.86
14	E"	757	757	0.00	3.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.879	0.000
C2	0.761	-0.439	0.000
C3	-0.761	-0.439	0.000
H4	0.000	1.473	0.912
H5	1.276	-0.737	0.912
H6	-1.276	-0.737	0.912
H7	0.000	1.473	-0.912
H8	1.276	-0.737	-0.912
H9	-1.276	-0.737	-0.912

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5223	1.5223	1.0891	2.2519	2.2519	1.0891	2.2519	2.2519
C2	1.5223		1.5223	2.2519	1.0891	2.2519	2.2519	1.0891	2.2519
C3	1.5223	1.5223		2.2519	2.2519	1.0891	2.2519	2.2519	1.0891
H4	1.0891	2.2519	2.2519		2.5521	2.5521	1.8250	3.1374	3.1374
H5	2.2519	1.0891	2.2519	2.5521		2.5521	3.1374	1.8250	3.1374
H6	2.2519	2.2519	1.0891	2.5521	2.5521		3.1374	3.1374	1.8250
H7	1.0891	2.2519	2.2519	1.8250	3.1374	3.1374		2.5521	2.5521
H8	2.2519	1.0891	2.2519	3.1374	1.8250	3.1374	2.5521		2.5521
H9	2.2519	2.2519	1.0891	3.1374	3.1374	1.8250	2.5521	2.5521

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.213
C1	C2	H8	118.213	C1	C3	C2	60.000
C1	C3	H6	118.213	C1	C3	H9	118.213
C2	C1	C3	60.000	C2	C1	H4	118.213
C2	C1	H7	118.213	C2	C3	H6	118.213
C2	C3	H9	118.213	C3	C1	H4	118.213
C3	C1	H7	118.213	C3	C2	H5	118.213
C3	C2	H8	118.213	H4	C1	H7	113.830
H5	C2	H8	113.830	H6	C3	H9	113.830

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B97D3/6-31G

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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Number	Element	Mulliken
1	C	-0.298
2	C	-0.298
3	C	-0.298
4	H	0.149
5	H	0.149
6	H	0.149
7	H	0.149
8	H	0.149
9	H	0.149

<r²>	44.187
(<r²>)^1/2	6.647

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B97D3/6-31G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)