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	hartrees
Energy at 0K	-117.855533
Energy at 298.15K	-117.861892
Nuclear repulsion energy	75.738408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3166	3029	0.00
2	A₁'	1547	1480	0.00
3	A₁'	1242	1189	0.00
4	A₁"	1162	1111	0.00
5	A₂'	1088	1041	0.00
6	A₂"	3255	3114	35.22
7	A₂"	867	829	0.78
8	E'	3157	3021	27.28
8	E'	3157	3021	27.28
9	E'	1493	1428	0.80
9	E'	1493	1428	0.80
10	E'	1069	1022	9.98
10	E'	1069	1022	9.98
11	E'	914	874	19.43
11	E'	914	874	19.43
12	E"	3234	3094	0.00
12	E"	3234	3094	0.00
13	E"	1223	1170	0.00
13	E"	1223	1170	0.00
14	E"	744	712	0.00
14	E"	744	712	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.868	0.000
C2	0.752	-0.434	0.000
C3	-0.752	-0.434	0.000
H4	0.000	1.460	0.912
H5	1.264	-0.730	0.912
H6	-1.264	-0.730	0.912
H7	0.000	1.460	-0.912
H8	1.264	-0.730	-0.912
H9	-1.264	-0.730	-0.912

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5040	1.5040	1.0867	2.2326	2.2326	1.0867	2.2326	2.2326
C2	1.5040		1.5040	2.2326	1.0867	2.2326	2.2326	1.0867	2.2326
C3	1.5040	1.5040		2.2326	2.2326	1.0867	2.2326	2.2326	1.0867
H4	1.0867	2.2326	2.2326		2.5289	2.5289	1.8231	3.1175	3.1175
H5	2.2326	1.0867	2.2326	2.5289		2.5289	3.1175	1.8231	3.1175
H6	2.2326	2.2326	1.0867	2.5289	2.5289		3.1175	3.1175	1.8231
H7	1.0867	2.2326	2.2326	1.8231	3.1175	3.1175		2.5289	2.5289
H8	2.2326	1.0867	2.2326	3.1175	1.8231	3.1175	2.5289		2.5289
H9	2.2326	2.2326	1.0867	3.1175	3.1175	1.8231	2.5289	2.5289

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.132
C1	C2	H8	118.132	C1	C3	C2	60.000
C1	C3	H6	118.132	C1	C3	H9	118.132
C2	C1	C3	60.000	C2	C1	H4	118.132
C2	C1	H7	118.132	C2	C3	H6	118.132
C2	C3	H9	118.132	C3	C1	H4	118.132
C3	C1	H7	118.132	C3	C2	H5	118.132
C3	C2	H8	118.132	H4	C1	H7	114.026
H5	C2	H8	114.026	H6	C3	H9	114.026

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B3PW91/6-31G*

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	ESP
1	C	-0.352	-0.296
2	C	-0.352	-0.301
3	C	-0.352	-0.309
4	H	0.176	0.149
5	H	0.176	0.151
6	H	0.176	0.153
7	H	0.176	0.149
8	H	0.176	0.151
9	H	0.176	0.153

<r²>	43.503
(<r²>)^1/2	6.596

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)