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	hartrees
Energy at 0K	-117.939159
Energy at 298.15K
HF Energy	-117.939159
Nuclear repulsion energy	75.810077

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'	3135	3026	0.00	294.08	0.03	0.06
2	A₁'	1523	1470	0.00	1.56	0.73	0.84
3	A₁'	1211	1169	0.00	35.73	0.07	0.12
4	A₁"	1153	1113	0.00	0.00	0.75	0.86
5	A₂'	1095	1057	0.00	0.00	0.75	0.86
6	A₂"	3223	3112	32.87	0.00	0.75	0.86
7	A₂"	865	835	0.44	0.00	0.75	0.86
8	E'	3128	3020	26.74	24.84	0.75	0.86
8	E'	3128	3020	26.74	24.84	0.75	0.86
9	E'	1479	1428	1.37	6.62	0.75	0.86
9	E'	1479	1428	1.37	6.62	0.75	0.86
10	E'	1056	1019	12.29	0.32	0.75	0.86
10	E'	1056	1019	12.29	0.32	0.75	0.86
11	E'	879	849	21.01	11.70	0.75	0.86
11	E'	879	849	21.01	11.70	0.75	0.86
12	E"	3202	3091	0.00	97.16	0.75	0.86
12	E"	3202	3091	0.00	97.17	0.75	0.86
13	E"	1216	1174	0.00	3.31	0.75	0.86
13	E"	1216	1174	0.00	3.31	0.75	0.86
14	E"	749	723	0.00	0.74	0.75	0.86
14	E"	749	723	0.00	0.74	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.869	0.000
C2	0.753	-0.435	0.000
C3	-0.753	-0.435	0.000
H4	0.000	1.457	0.909
H5	1.262	-0.728	0.909
H6	-1.262	-0.728	0.909
H7	0.000	1.457	-0.909
H8	1.262	-0.728	-0.909
H9	-1.262	-0.728	-0.909

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5053	1.5053	1.0824	2.2294	2.2294	1.0824	2.2294	2.2294
C2	1.5053		1.5053	2.2294	1.0824	2.2294	2.2294	1.0824	2.2294
C3	1.5053	1.5053		2.2294	2.2294	1.0824	2.2294	2.2294	1.0824
H4	1.0824	2.2294	2.2294		2.5234	2.5234	1.8178	3.1100	3.1100
H5	2.2294	1.0824	2.2294	2.5234		2.5234	3.1100	1.8178	3.1100
H6	2.2294	2.2294	1.0824	2.5234	2.5234		3.1100	3.1100	1.8178
H7	1.0824	2.2294	2.2294	1.8178	3.1100	3.1100		2.5234	2.5234
H8	2.2294	1.0824	2.2294	3.1100	1.8178	3.1100	2.5234		2.5234
H9	2.2294	2.2294	1.0824	3.1100	3.1100	1.8178	2.5234	2.5234

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.055
C1	C2	H8	118.055	C1	C3	C2	60.000
C1	C3	H6	118.055	C1	C3	H9	118.055
C2	C1	C3	60.000	C2	C1	H4	118.055
C2	C1	H7	118.055	C2	C3	H6	118.055
C2	C3	H9	118.055	C3	C1	H4	118.055
C3	C1	H7	118.055	C3	C2	H5	118.055
C3	C2	H8	118.055	H4	C1	H7	114.214
H5	C2	H8	114.214	H6	C3	H9	114.214

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B3LYP/TZVP

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	-0.270
2	C	-0.270
3	C	-0.270
4	H	0.135
5	H	0.135
6	H	0.135
7	H	0.135
8	H	0.135
9	H	0.135

<r²>	43.863
(<r²>)^1/2	6.623

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B3LYP/TZVP

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)