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	hartrees
Energy at 0K	-117.765465
Energy at 298.15K
HF Energy	-117.628700
Nuclear repulsion energy	75.717883

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'	3162	3162	0.00	255.64	0.04	0.08
2	A₁'	1550	1550	0.00	2.43	0.73	0.84
3	A₁'	1229	1229	0.00	29.91	0.08	0.14
4	A₁"	1174	1174	0.00	0.00	0.75	0.86
5	A₂'	1091	1091	0.00	0.00	0.75	0.86
6	A₂"	3255	3255	45.60	0.00	0.75	0.86
7	A₂"	871	871	0.39	0.00	0.75	0.86
8	E'	3153	3153	29.55	23.51	0.75	0.86
8	E'	3153	3153	29.56	23.51	0.75	0.86
9	E'	1500	1500	1.81	7.06	0.75	0.86
9	E'	1500	1500	1.81	7.06	0.75	0.86
10	E'	1068	1068	11.73	0.25	0.75	0.86
10	E'	1068	1068	11.73	0.25	0.75	0.86
11	E'	895	895	20.69	13.00	0.75	0.86
11	E'	895	895	20.69	13.00	0.75	0.86
12	E"	3233	3233	0.00	100.08	0.75	0.86
12	E"	3233	3233	0.00	100.08	0.75	0.86
13	E"	1234	1234	0.00	6.03	0.75	0.86
13	E"	1234	1234	0.00	6.03	0.75	0.86
14	E"	756	756	0.00	1.51	0.75	0.86
14	E"	756	756	0.00	1.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.871	0.000
C2	0.754	-0.435	0.000
C3	-0.754	-0.435	0.000
H4	0.000	1.458	0.910
H5	1.263	-0.729	0.910
H6	-1.263	-0.729	0.910
H7	0.000	1.458	-0.910
H8	1.263	-0.729	-0.910
H9	-1.263	-0.729	-0.910

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5079	1.5079	1.0828	2.2317	2.2317	1.0828	2.2317	2.2317
C2	1.5079		1.5079	2.2317	1.0828	2.2317	2.2317	1.0828	2.2317
C3	1.5079	1.5079		2.2317	2.2317	1.0828	2.2317	2.2317	1.0828
H4	1.0828	2.2317	2.2317		2.5253	2.5253	1.8193	3.1124	3.1124
H5	2.2317	1.0828	2.2317	2.5253		2.5253	3.1124	1.8193	3.1124
H6	2.2317	2.2317	1.0828	2.5253	2.5253		3.1124	3.1124	1.8193
H7	1.0828	2.2317	2.2317	1.8193	3.1124	3.1124		2.5253	2.5253
H8	2.2317	1.0828	2.2317	3.1124	1.8193	3.1124	2.5253		2.5253
H9	2.2317	2.2317	1.0828	3.1124	3.1124	1.8193	2.5253	2.5253

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.021
C1	C2	H8	118.021	C1	C3	C2	60.000
C1	C3	H6	118.021	C1	C3	H9	118.021
C2	C1	C3	60.000	C2	C1	H4	118.021
C2	C1	H7	118.021	C2	C3	H6	118.021
C2	C3	H9	118.021	C3	C1	H4	118.021
C3	C1	H7	118.021	C3	C2	H5	118.021
C3	C2	H8	118.021	H4	C1	H7	114.295
H5	C2	H8	114.295	H6	C3	H9	114.295

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B2PLYP/6-311G*

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	-0.437
2	C	-0.437
3	C	-0.437
4	H	0.218
5	H	0.218
6	H	0.218
7	H	0.218
8	H	0.218
9	H	0.218

<r²>	43.923
(<r²>)^1/2	6.627

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B2PLYP/6-311G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)