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	hartrees
Energy at 0K	-117.904157
Energy at 298.15K
HF Energy	-117.904157
Nuclear repulsion energy	75.616941

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'	3147	3024	0.00	243.04	0.04	0.07
2	A₁'	1536	1475	0.00	6.08	0.71	0.83
3	A₁'	1223	1175	0.00	28.53	0.09	0.17
4	A₁"	1157	1112	0.00	0.00	0.75	0.86
5	A₂'	1088	1045	0.00	0.00	0.75	0.86
6	A₂"	3236	3110	38.09	0.00	0.75	0.86
7	A₂"	863	829	0.52	0.00	0.75	0.86
8	E'	3140	3017	27.60	20.10	0.75	0.86
8	E'	3140	3017	27.60	20.10	0.75	0.86
9	E'	1487	1428	0.33	9.52	0.75	0.86
9	E'	1487	1428	0.33	9.52	0.75	0.86
10	E'	1065	1023	8.23	0.03	0.75	0.86
10	E'	1065	1023	8.23	0.03	0.75	0.86
11	E'	892	857	16.35	14.52	0.75	0.86
11	E'	892	857	16.35	14.52	0.75	0.86
12	E"	3217	3090	0.00	94.92	0.75	0.86
12	E"	3217	3090	0.00	94.92	0.75	0.86
13	E"	1218	1170	0.00	11.27	0.75	0.86
13	E"	1218	1170	0.00	11.27	0.75	0.86
14	E"	740	711	0.00	2.66	0.75	0.86
14	E"	740	711	0.00	2.66	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	1.462	0.911
H5	1.266	-0.731	0.911
H6	-1.266	-0.731	0.911
H7	0.000	1.462	-0.911
H8	1.266	-0.731	-0.911
H9	-1.266	-0.731	-0.911

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5084	1.5084	1.0858	2.2360	2.2360	1.0858	2.2360	2.2360
C2	1.5084		1.5084	2.2360	1.0858	2.2360	2.2360	1.0858	2.2360
C3	1.5084	1.5084		2.2360	2.2360	1.0858	2.2360	2.2360	1.0858
H4	1.0858	2.2360	2.2360		2.5328	2.5328	1.8212	3.1196	3.1196
H5	2.2360	1.0858	2.2360	2.5328		2.5328	3.1196	1.8212	3.1196
H6	2.2360	2.2360	1.0858	2.5328	2.5328		3.1196	3.1196	1.8212
H7	1.0858	2.2360	2.2360	1.8212	3.1196	3.1196		2.5328	2.5328
H8	2.2360	1.0858	2.2360	3.1196	1.8212	3.1196	2.5328		2.5328
H9	2.2360	2.2360	1.0858	3.1196	3.1196	1.8212	2.5328	2.5328

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.148
C1	C2	H8	118.148	C1	C3	C2	60.000
C1	C3	H6	118.148	C1	C3	H9	118.148
C2	C1	C3	60.000	C2	C1	H4	118.148
C2	C1	H7	118.148	C2	C3	H6	118.148
C2	C3	H9	118.148	C3	C1	H4	118.148
C3	C1	H7	118.148	C3	C2	H5	118.148
C3	C2	H8	118.148	H4	C1	H7	113.988
H5	C2	H8	113.989	H6	C3	H9	113.989

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B3LYP/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	-0.219
2	C	-0.219
3	C	-0.219
4	H	0.109
5	H	0.109
6	H	0.109
7	H	0.109
8	H	0.109
9	H	0.109

<r²>	43.702
(<r²>)^1/2	6.611

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)