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	hartrees
Energy at 0K	-117.829697
Energy at 298.15K
HF Energy	-117.829697
Nuclear repulsion energy	74.936548

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'	3062	3045	0.00	289.31	0.03	0.07
2	A₁'	1480	1472	0.00	1.01	0.40	0.57
3	A₁'	1170	1164	0.00	44.29	0.08	0.15
4	A₁"	1113	1107	0.00	0.00	0.75	0.86
5	A₂'	1041	1035	0.00	0.00	0.75	0.86
6	A₂"	3150	3133	42.09	0.00	0.75	0.86
7	A₂"	842	837	1.07	0.00	0.75	0.86
8	E'	3055	3039	31.92	28.98	0.75	0.86
8	E'	3055	3039	31.92	28.98	0.75	0.86
9	E'	1439	1431	0.21	7.86	0.75	0.86
9	E'	1439	1431	0.21	7.86	0.75	0.86
10	E'	1015	1009	15.20	0.74	0.75	0.86
10	E'	1015	1009	15.20	0.74	0.75	0.86
11	E'	839	835	19.74	12.31	0.75	0.86
11	E'	839	835	19.74	12.31	0.75	0.86
12	E"	3129	3113	0.00	104.03	0.75	0.86
12	E"	3129	3113	0.00	104.03	0.75	0.86
13	E"	1177	1170	0.00	3.11	0.75	0.86
13	E"	1177	1170	0.00	3.11	0.75	0.86
14	E"	719	715	0.00	0.41	0.75	0.86
14	E"	719	715	0.00	0.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.880	0.000
C2	0.762	-0.440	0.000
C3	-0.762	-0.440	0.000
H4	0.000	1.475	0.917
H5	1.277	-0.737	0.917
H6	-1.277	-0.737	0.917
H7	0.000	1.475	-0.917
H8	1.277	-0.737	-0.917
H9	-1.277	-0.737	-0.917

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5240	1.5240	1.0932	2.2556	2.2556	1.0932	2.2556	2.2556
C2	1.5240		1.5240	2.2556	1.0932	2.2556	2.2556	1.0932	2.2556
C3	1.5240	1.5240		2.2556	2.2556	1.0932	2.2556	2.2556	1.0932
H4	1.0932	2.2556	2.2556		2.5540	2.5540	1.8347	3.1447	3.1447
H5	2.2556	1.0932	2.2556	2.5540		2.5540	3.1447	1.8347	3.1447
H6	2.2556	2.2556	1.0932	2.5540	2.5540		3.1447	3.1447	1.8347
H7	1.0932	2.2556	2.2556	1.8347	3.1447	3.1447		2.5540	2.5540
H8	2.2556	1.0932	2.2556	3.1447	1.8347	3.1447	2.5540		2.5540
H9	2.2556	2.2556	1.0932	3.1447	3.1447	1.8347	2.5540	2.5540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.106
C1	C2	H8	118.106	C1	C3	C2	60.000
C1	C3	H6	118.106	C1	C3	H9	118.106
C2	C1	C3	60.000	C2	C1	H4	118.106
C2	C1	H7	118.106	C2	C3	H6	118.105
C2	C3	H9	118.105	C3	C1	H4	118.106
C3	C1	H7	118.106	C3	C2	H5	118.105
C3	C2	H8	118.105	H4	C1	H7	114.091
H5	C2	H8	114.091	H6	C3	H9	114.091

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: BLYP/6-31+G**

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	-0.286
2	C	-0.286
3	C	-0.286
4	H	0.143
5	H	0.143
6	H	0.143
7	H	0.143
8	H	0.143
9	H	0.143

<r²>	44.808
(<r²>)^1/2	6.694

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: BLYP/6-31+G**

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)