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	hartrees
Energy at 0K	-117.218888
Energy at 298.15K
HF Energy	-117.218888
Nuclear repulsion energy	75.411991

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'	3199	3037	0.00	201.56	0.04	0.09
2	A₁'	1547	1469	0.00	7.57	0.72	0.84
3	A₁'	1186	1126	0.00	25.04	0.08	0.14
4	A₁"	1173	1114	0.00	0.00	0.75	0.86
5	A₂'	1142	1084	0.00	0.00	0.75	0.86
6	A₂"	3296	3130	17.83	0.00	0.75	0.86
7	A₂"	869	826	1.70	0.00	0.75	0.86
8	E'	3189	3028	15.80	15.58	0.75	0.86
8	E'	3189	3028	15.80	15.58	0.75	0.86
9	E'	1518	1441	5.15	8.71	0.75	0.86
9	E'	1518	1441	5.15	8.71	0.75	0.86
10	E'	1093	1038	27.84	0.03	0.75	0.86
10	E'	1093	1038	27.84	0.03	0.75	0.86
11	E'	880	836	17.14	16.50	0.75	0.86
11	E'	880	836	17.14	16.50	0.75	0.86
12	E"	3272	3107	0.00	81.43	0.75	0.86
12	E"	3272	3107	0.00	81.43	0.75	0.86
13	E"	1235	1173	0.00	12.47	0.75	0.86
13	E"	1235	1173	0.00	12.46	0.75	0.86
14	E"	771	732	0.00	3.50	0.75	0.86
14	E"	771	732	0.00	3.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.877	0.000
C2	0.759	-0.438	0.000
C3	-0.759	-0.438	0.000
H4	0.000	1.457	0.914
H5	1.262	-0.729	0.914
H6	-1.262	-0.729	0.914
H7	0.000	1.457	-0.914
H8	1.262	-0.729	-0.914
H9	-1.262	-0.729	-0.914

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5184	1.5184	1.0826	2.2372	2.2372	1.0826	2.2372	2.2372
C2	1.5184		1.5184	2.2372	1.0826	2.2372	2.2372	1.0826	2.2372
C3	1.5184	1.5184		2.2372	2.2372	1.0826	2.2372	2.2372	1.0826
H4	1.0826	2.2372	2.2372		2.5243	2.5243	1.8274	3.1163	3.1163
H5	2.2372	1.0826	2.2372	2.5243		2.5243	3.1163	1.8274	3.1163
H6	2.2372	2.2372	1.0826	2.5243	2.5243		3.1163	3.1163	1.8274
H7	1.0826	2.2372	2.2372	1.8274	3.1163	3.1163		2.5243	2.5243
H8	2.2372	1.0826	2.2372	3.1163	1.8274	3.1163	2.5243		2.5243
H9	2.2372	2.2372	1.0826	3.1163	3.1163	1.8274	2.5243	2.5243

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.682
C1	C2	H8	117.682	C1	C3	C2	60.000
C1	C3	H6	117.682	C1	C3	H9	117.682
C2	C1	C3	60.000	C2	C1	H4	117.682
C2	C1	H7	117.682	C2	C3	H6	117.682
C2	C3	H9	117.682	C3	C1	H4	117.682
C3	C1	H7	117.682	C3	C2	H5	117.682
C3	C2	H8	117.682	H4	C1	H7	115.119
H5	C2	H8	115.119	H6	C3	H9	115.119

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: mPW1PW91/3-21G*

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	-0.460
2	C	-0.460
3	C	-0.460
4	H	0.230
5	H	0.230
6	H	0.230
7	H	0.230
8	H	0.230
9	H	0.230

<r²>	43.864
(<r²>)^1/2	6.623

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: mPW1PW91/3-21G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)