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	hartrees
Energy at 0K	-117.830712
Energy at 298.15K
HF Energy	-117.830712
Nuclear repulsion energy	75.831796

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'	3168	3045	0.00	282.14	0.04	0.07
2	A₁'	1509	1451	0.00	3.53	0.60	0.75
3	A₁'	1247	1198	0.00	32.48	0.10	0.19
4	A₁"	1143	1098	0.00	0.00	0.75	0.86
5	A₂'	1068	1026	0.00	0.00	0.75	0.86
6	A₂"	3266	3140	23.42	0.00	0.75	0.86
7	A₂"	850	817	0.91	0.00	0.75	0.86
8	E'	3158	3035	20.58	22.76	0.75	0.86
8	E'	3158	3035	20.58	22.76	0.75	0.86
9	E'	1438	1382	1.25	8.23	0.75	0.86
9	E'	1438	1382	1.25	8.23	0.75	0.86
10	E'	1051	1010	4.93	0.65	0.75	0.86
10	E'	1051	1010	4.93	0.65	0.75	0.86
11	E'	924	888	20.10	12.90	0.75	0.86
11	E'	924	888	20.10	12.90	0.75	0.86
12	E"	3247	3121	0.00	107.17	0.75	0.86
12	E"	3247	3121	0.00	107.16	0.75	0.86
13	E"	1195	1149	0.00	8.32	0.75	0.86
13	E"	1195	1149	0.00	8.32	0.75	0.86
14	E"	728	700	0.00	2.02	0.75	0.86
14	E"	728	700	0.00	2.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.866	0.000
C2	0.750	-0.433	0.000
C3	-0.750	-0.433	0.000
H4	0.000	1.457	0.915
H5	1.262	-0.729	0.915
H6	-1.262	-0.729	0.915
H7	0.000	1.457	-0.915
H8	1.262	-0.729	-0.915
H9	-1.262	-0.729	-0.915

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4996	1.4996	1.0894	2.2296	2.2296	1.0894	2.2296	2.2296
C2	1.4996		1.4996	2.2296	1.0894	2.2296	2.2296	1.0894	2.2296
C3	1.4996	1.4996		2.2296	2.2296	1.0894	2.2296	2.2296	1.0894
H4	1.0894	2.2296	2.2296		2.5237	2.5237	1.8299	3.1173	3.1173
H5	2.2296	1.0894	2.2296	2.5237		2.5237	3.1173	1.8299	3.1173
H6	2.2296	2.2296	1.0894	2.5237	2.5237		3.1173	3.1173	1.8299
H7	1.0894	2.2296	2.2296	1.8299	3.1173	3.1173		2.5237	2.5237
H8	2.2296	1.0894	2.2296	3.1173	1.8299	3.1173	2.5237		2.5237
H9	2.2296	2.2296	1.0894	3.1173	3.1173	1.8299	2.5237	2.5237

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.038
C1	C2	H8	118.038	C1	C3	C2	60.000
C1	C3	H6	118.038	C1	C3	H9	118.038
C2	C1	C3	60.000	C2	C1	H4	118.038
C2	C1	H7	118.038	C2	C3	H6	118.038
C2	C3	H9	118.038	C3	C1	H4	118.038
C3	C1	H7	118.038	C3	C2	H5	118.038
C3	C2	H8	118.038	H4	C1	H7	114.255
H5	C2	H8	114.255	H6	C3	H9	114.255

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B1B95/cc-pVDZ

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	-0.074
2	C	-0.074
3	C	-0.074
4	H	0.037
5	H	0.037
6	H	0.037
7	H	0.037
8	H	0.037
9	H	0.037

<r²>	43.574
(<r²>)^1/2	6.601

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)