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	hartrees
Energy at 0K	-116.465097
Energy at 298.15K
HF Energy	-116.465097
Nuclear repulsion energy	75.154781

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'	3457	3038	0.00	88.05	0.05	0.10
2	A₁'	1675	1472	0.00	14.32	0.73	0.84
3	A₁'	1341	1179	0.00	19.72	0.20	0.33
4	A₁"	1267	1113	0.00	0.00	0.75	0.86
5	A₂'	1224	1076	0.00	0.00	0.75	0.86
6	A₂"	3603	3167	0.52	0.00	0.75	0.86
7	A₂"	898	789	0.68	0.00	0.75	0.86
8	E'	3442	3025	3.28	8.69	0.75	0.86
8	E'	3442	3025	3.28	8.69	0.75	0.86
9	E'	1617	1421	0.63	8.43	0.75	0.86
9	E'	1617	1421	0.63	8.43	0.75	0.86
10	E'	1240	1089	2.03	0.00	0.75	0.86
10	E'	1240	1089	2.03	0.00	0.75	0.86
11	E'	1020	897	7.63	10.56	0.75	0.86
11	E'	1020	897	7.63	10.56	0.75	0.86
12	E"	3595	3160	0.00	40.82	0.75	0.86
12	E"	3595	3160	0.00	40.82	0.75	0.86
13	E"	1315	1156	0.00	11.94	0.75	0.86
13	E"	1315	1156	0.00	11.94	0.75	0.86
14	E"	816	717	0.00	2.18	0.75	0.86
14	E"	816	717	0.00	2.18	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.876	0.000
C2	0.759	-0.438	0.000
C3	-0.759	-0.438	0.000
H4	0.000	1.470	0.917
H5	1.273	-0.735	0.917
H6	-1.273	-0.735	0.917
H7	0.000	1.470	-0.917
H8	1.273	-0.735	-0.917
H9	-1.273	-0.735	-0.917

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5181	1.5181	1.0922	2.2489	2.2489	1.0922	2.2489	2.2489
C2	1.5181		1.5181	2.2489	1.0922	2.2489	2.2489	1.0922	2.2489
C3	1.5181	1.5181		2.2489	2.2489	1.0922	2.2489	2.2489	1.0922
H4	1.0922	2.2489	2.2489		2.5457	2.5457	1.8342	3.1376	3.1376
H5	2.2489	1.0922	2.2489	2.5457		2.5457	3.1376	1.8342	3.1376
H6	2.2489	2.2489	1.0922	2.5457	2.5457		3.1376	3.1376	1.8342
H7	1.0922	2.2489	2.2489	1.8342	3.1376	3.1376		2.5457	2.5457
H8	2.2489	1.0922	2.2489	3.1376	1.8342	3.1376	2.5457		2.5457
H9	2.2489	2.2489	1.0922	3.1376	3.1376	1.8342	2.5457	2.5457

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.060
C1	C2	H8	118.060	C1	C3	C2	60.000
C1	C3	H6	118.060	C1	C3	H9	118.060
C2	C1	C3	60.000	C2	C1	H4	118.060
C2	C1	H7	118.060	C2	C3	H6	118.060
C2	C3	H9	118.060	C3	C1	H4	118.060
C3	C1	H7	118.060	C3	C2	H5	118.060
C3	C2	H8	118.060	H4	C1	H7	114.200
H5	C2	H8	114.200	H6	C3	H9	114.200

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: mPW1PW91/STO-3G

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	-0.172
2	C	-0.172
3	C	-0.172
4	H	0.086
5	H	0.086
6	H	0.086
7	H	0.086
8	H	0.086
9	H	0.086

<r²>	43.435
(<r²>)^1/2	6.591

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: mPW1PW91/STO-3G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)