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	hartrees
Energy at 0K	-117.878282
Energy at 298.15K
HF Energy	-117.878282
Nuclear repulsion energy	75.799217

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'	3152	3152	0.00	252.65	0.04	0.08
2	A₁'	1545	1545	0.00	2.41	0.66	0.80
3	A₁'	1226	1226	0.00	30.60	0.08	0.15
4	A₁"	1164	1164	0.00	0.00	0.75	0.86
5	A₂'	1091	1091	0.00	0.00	0.75	0.86
6	A₂"	3244	3244	46.32	0.00	0.75	0.86
7	A₂"	869	869	0.46	0.00	0.75	0.86
8	E'	3141	3141	31.92	22.73	0.75	0.86
8	E'	3141	3141	31.91	22.74	0.75	0.86
9	E'	1488	1488	2.59	6.90	0.75	0.86
9	E'	1488	1488	2.58	6.90	0.75	0.86
10	E'	1063	1063	10.63	0.57	0.75	0.86
10	E'	1063	1063	10.65	0.58	0.75	0.86
11	E'	900	900	24.01	13.34	0.75	0.86
11	E'	900	900	23.98	13.35	0.75	0.86
12	E"	3222	3222	0.00	99.48	0.75	0.86
12	E"	3222	3222	0.00	99.45	0.75	0.86
13	E"	1226	1226	0.00	5.97	0.75	0.86
13	E"	1226	1226	0.00	5.97	0.75	0.86
14	E"	757	757	0.00	1.62	0.75	0.86
14	E"	757	757	0.00	1.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.869	0.000
C2	0.752	-0.434	0.000
C3	-0.752	-0.434	0.000
H4	0.000	1.457	0.911
H5	1.262	-0.728	0.911
H6	-1.262	-0.728	0.911
H7	0.000	1.457	-0.911
H8	1.262	-0.728	-0.911
H9	-1.262	-0.728	-0.911

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5045	1.5045	1.0840	2.2297	2.2297	1.0840	2.2297	2.2297
C2	1.5045		1.5045	2.2297	1.0840	2.2297	2.2297	1.0840	2.2297
C3	1.5045	1.5045		2.2297	2.2297	1.0840	2.2297	2.2297	1.0840
H4	1.0840	2.2297	2.2297		2.5233	2.5233	1.8211	3.1119	3.1119
H5	2.2297	1.0840	2.2297	2.5233		2.5233	3.1119	1.8211	3.1119
H6	2.2297	2.2297	1.0840	2.5233	2.5233		3.1119	3.1119	1.8211
H7	1.0840	2.2297	2.2297	1.8211	3.1119	3.1119		2.5233	2.5233
H8	2.2297	1.0840	2.2297	3.1119	1.8211	3.1119	2.5233		2.5233
H9	2.2297	2.2297	1.0840	3.1119	3.1119	1.8211	2.5233	2.5233

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.031
C1	C2	H8	118.031	C1	C3	C2	60.000
C1	C3	H6	118.031	C1	C3	H9	118.031
C2	C1	C3	60.000	C2	C1	H4	118.031
C2	C1	H7	118.031	C2	C3	H6	118.031
C2	C3	H9	118.031	C3	C1	H4	118.031
C3	C1	H7	118.031	C3	C2	H5	118.031
C3	C2	H8	118.031	H4	C1	H7	114.273
H5	C2	H8	114.273	H6	C3	H9	114.273

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: wB97X-D/6-311G*

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	-0.449
2	C	-0.449
3	C	-0.449
4	H	0.224
5	H	0.224
6	H	0.224
7	H	0.224
8	H	0.224
9	H	0.224

<r²>	43.685
(<r²>)^1/2	6.609

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: wB97X-D/6-311G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)