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	hartrees
Energy at 0K	-117.165824
Energy at 298.15K
HF Energy	-117.165824
Nuclear repulsion energy	74.550804

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'	3089	3069	0.00	208.15	0.04	0.08
2	A₁'	1502	1492	0.00	10.59	0.64	0.78
3	A₁'	1120	1113	0.00	23.06	0.07	0.13
4	A₁"	1133	1126	0.00	0.00	0.75	0.86
5	A₂'	1081	1074	0.00	0.00	0.75	0.86
6	A₂"	3182	3161	31.82	0.00	0.75	0.86
7	A₂"	845	839	1.07	0.00	0.75	0.86
8	E'	3081	3061	22.08	17.03	0.75	0.86
8	E'	3081	3061	22.08	17.03	0.75	0.86
9	E'	1485	1475	2.04	10.17	0.75	0.86
9	E'	1485	1475	2.04	10.17	0.75	0.86
10	E'	1041	1034	21.84	0.57	0.75	0.86
10	E'	1041	1034	21.85	0.57	0.75	0.86
11	E'	810	804	11.89	15.03	0.75	0.86
11	E'	810	804	11.89	15.03	0.75	0.86
12	E"	3157	3136	0.00	84.66	0.75	0.86
12	E"	3157	3136	0.00	84.66	0.75	0.86
13	E"	1196	1188	0.00	13.92	0.75	0.86
13	E"	1196	1188	0.00	13.92	0.75	0.86
14	E"	738	734	0.00	3.61	0.75	0.86
14	E"	738	734	0.00	3.61	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.889	0.000
C2	0.770	-0.444	0.000
C3	-0.770	-0.444	0.000
H4	0.000	1.474	0.920
H5	1.277	-0.737	0.920
H6	-1.277	-0.737	0.920
H7	0.000	1.474	-0.920
H8	1.277	-0.737	-0.920
H9	-1.277	-0.737	-0.920

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5393	1.5393	1.0905	2.2627	2.2627	1.0905	2.2627	2.2627
C2	1.5393		1.5393	2.2627	1.0905	2.2627	2.2627	1.0905	2.2627
C3	1.5393	1.5393		2.2627	2.2627	1.0905	2.2627	2.2627	1.0905
H4	1.0905	2.2627	2.2627		2.5534	2.5534	1.8400	3.1473	3.1473
H5	2.2627	1.0905	2.2627	2.5534		2.5534	3.1473	1.8400	3.1473
H6	2.2627	2.2627	1.0905	2.5534	2.5534		3.1473	3.1473	1.8400
H7	1.0905	2.2627	2.2627	1.8400	3.1473	3.1473		2.5534	2.5534
H8	2.2627	1.0905	2.2627	3.1473	1.8400	3.1473	2.5534		2.5534
H9	2.2627	2.2627	1.0905	3.1473	3.1473	1.8400	2.5534	2.5534

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.707
C1	C2	H8	117.707	C1	C3	C2	60.000
C1	C3	H6	117.707	C1	C3	H9	117.707
C2	C1	C3	60.000	C2	C1	H4	117.707
C2	C1	H7	117.707	C2	C3	H6	117.707
C2	C3	H9	117.707	C3	C1	H4	117.707
C3	C1	H7	117.707	C3	C2	H5	117.707
C3	C2	H8	117.707	H4	C1	H7	115.057
H5	C2	H8	115.057	H6	C3	H9	115.057

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: BLYP/3-21G*

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	-0.370
2	C	-0.370
3	C	-0.370
4	H	0.185
5	H	0.185
6	H	0.185
7	H	0.185
8	H	0.185
9	H	0.185

<r²>	44.718
(<r²>)^1/2	6.687

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: BLYP/3-21G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)