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	hartrees
Energy at 0K	-117.929947
Energy at 298.15K
HF Energy	-117.929947
Nuclear repulsion energy	75.698842

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'	3128	3025	0.00	274.28	0.04	0.07
2	A₁'	1521	1470	0.00	2.73	0.75	0.86
3	A₁'	1214	1174	0.00	31.19	0.08	0.14
4	A₁"	1151	1113	0.00	0.00	0.75	0.86
5	A₂'	1087	1051	0.00	0.00	0.75	0.86
6	A₂"	3217	3110	40.56	0.00	0.75	0.86
7	A₂"	861	833	0.54	0.00	0.75	0.86
8	E'	3120	3017	28.49	23.68	0.75	0.86
8	E'	3120	3017	28.49	23.68	0.75	0.86
9	E'	1473	1425	1.69	7.26	0.75	0.86
9	E'	1473	1425	1.69	7.26	0.75	0.86
10	E'	1053	1018	11.70	0.20	0.75	0.86
10	E'	1053	1018	11.70	0.20	0.75	0.86
11	E'	883	854	19.48	12.68	0.75	0.86
11	E'	883	854	19.48	12.68	0.75	0.86
12	E"	3195	3089	0.00	104.87	0.75	0.86
12	E"	3195	3089	0.00	104.88	0.75	0.86
13	E"	1211	1171	0.00	5.33	0.75	0.86
13	E"	1211	1171	0.00	5.33	0.75	0.86
14	E"	744	719	0.00	1.46	0.75	0.86
14	E"	744	719	0.00	1.46	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	1.459	0.910
H5	1.264	-0.730	0.910
H6	-1.264	-0.730	0.910
H7	0.000	1.459	-0.910
H8	1.264	-0.730	-0.910
H9	-1.264	-0.730	-0.910

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5079	1.5079	1.0835	2.2327	2.2327	1.0835	2.2327	2.2327
C2	1.5079		1.5079	2.2327	1.0835	2.2327	2.2327	1.0835	2.2327
C3	1.5079	1.5079		2.2327	2.2327	1.0835	2.2327	2.2327	1.0835
H4	1.0835	2.2327	2.2327		2.5274	2.5274	1.8193	3.1140	3.1140
H5	2.2327	1.0835	2.2327	2.5274		2.5274	3.1140	1.8193	3.1140
H6	2.2327	2.2327	1.0835	2.5274	2.5274		3.1140	3.1140	1.8193
H7	1.0835	2.2327	2.2327	1.8193	3.1140	3.1140		2.5274	2.5274
H8	2.2327	1.0835	2.2327	3.1140	1.8193	3.1140	2.5274		2.5274
H9	2.2327	2.2327	1.0835	3.1140	3.1140	1.8193	2.5274	2.5274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.066
C1	C2	H8	118.066	C1	C3	C2	60.000
C1	C3	H6	118.066	C1	C3	H9	118.066
C2	C1	C3	60.000	C2	C1	H4	118.066
C2	C1	H7	118.066	C2	C3	H6	118.066
C2	C3	H9	118.066	C3	C1	H4	118.066
C3	C1	H7	118.066	C3	C2	H5	118.066
C3	C2	H8	118.066	H4	C1	H7	114.187
H5	C2	H8	114.187	H6	C3	H9	114.187

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B3LYP/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	-0.243
2	C	-0.243
3	C	-0.243
4	H	0.121
5	H	0.121
6	H	0.121
7	H	0.121
8	H	0.121
9	H	0.121

<r²>	43.892
(<r²>)^1/2	6.625

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B3LYP/6-311G**

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)