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	hartrees
Energy at 0K	-117.861955
Energy at 298.15K
HF Energy	-117.861955
Nuclear repulsion energy	75.311486

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'	3052	3035	0.00	310.78	0.02	0.05
2	A₁'	1475	1467	0.00	1.18	0.32	0.48
3	A₁'	1169	1163	0.00	44.26	0.06	0.12
4	A₁"	1121	1114	0.00	0.00	0.75	0.86
5	A₂'	1056	1051	0.00	0.00	0.75	0.86
6	A₂"	3137	3120	35.67	0.00	0.75	0.86
7	A₂"	843	838	0.52	0.00	0.75	0.86
8	E'	3046	3029	27.81	27.47	0.75	0.86
8	E'	3046	3029	27.81	27.47	0.75	0.86
9	E'	1442	1434	0.53	5.45	0.75	0.86
9	E'	1442	1434	0.53	5.45	0.75	0.86
10	E'	1016	1011	10.85	0.84	0.75	0.86
10	E'	1016	1011	10.85	0.85	0.75	0.86
11	E'	838	833	15.87	8.50	0.75	0.86
11	E'	838	833	15.87	8.49	0.75	0.86
12	E"	3115	3098	0.00	102.88	0.75	0.86
12	E"	3115	3098	0.00	102.89	0.75	0.86
13	E"	1180	1173	0.00	1.33	0.75	0.86
13	E"	1180	1173	0.00	1.32	0.75	0.86
14	E"	724	720	0.00	0.45	0.75	0.86
14	E"	724	720	0.00	0.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.876	0.000
C2	0.758	-0.438	0.000
C3	-0.758	-0.438	0.000
H4	0.000	1.467	0.912
H5	1.271	-0.734	0.912
H6	-1.271	-0.734	0.912
H7	0.000	1.467	-0.912
H8	1.271	-0.734	-0.912
H9	-1.271	-0.734	-0.912

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5168	1.5168	1.0873	2.2442	2.2442	1.0873	2.2442	2.2442
C2	1.5168		1.5168	2.2442	1.0873	2.2442	2.2442	1.0873	2.2442
C3	1.5168	1.5168		2.2442	2.2442	1.0873	2.2442	2.2442	1.0873
H4	1.0873	2.2442	2.2442		2.5411	2.5411	1.8247	3.1284	3.1284
H5	2.2442	1.0873	2.2442	2.5411		2.5411	3.1284	1.8247	3.1284
H6	2.2442	2.2442	1.0873	2.5411	2.5411		3.1284	3.1284	1.8247
H7	1.0873	2.2442	2.2442	1.8247	3.1284	3.1284		2.5411	2.5411
H8	2.2442	1.0873	2.2442	3.1284	1.8247	3.1284	2.5411		2.5411
H9	2.2442	2.2442	1.0873	3.1284	3.1284	1.8247	2.5411	2.5411

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.103
C1	C2	H8	118.103	C1	C3	C2	60.000
C1	C3	H6	118.103	C1	C3	H9	118.103
C2	C1	C3	60.000	C2	C1	H4	118.103
C2	C1	H7	118.103	C2	C3	H6	118.103
C2	C3	H9	118.103	C3	C1	H4	118.103
C3	C1	H7	118.103	C3	C2	H5	118.103
C3	C2	H8	118.103	H4	C1	H7	114.096
H5	C2	H8	114.096	H6	C3	H9	114.096

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: BLYP/6-311+G(3df,2p)

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	-0.295
2	C	-0.295
3	C	-0.295
4	H	0.148
5	H	0.148
6	H	0.148
7	H	0.148
8	H	0.148
9	H	0.148

<r²>	44.452
(<r²>)^1/2	6.667

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: BLYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)