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	hartrees
Energy at 0K	-117.847946
Energy at 298.15K	-117.854335
HF Energy	-117.847946
Nuclear repulsion energy	75.145011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3208	3047	0.00
2	A₁'	1541	1464	0.00
3	A₁'	1241	1179	0.00
4	A₁"	1158	1100	0.00
5	A₂'	1142	1085	0.00
6	A₂"	3316	3150	54.92
7	A₂"	872	829	5.50
8	E'	3191	3031	29.65
8	E'	3191	3031	29.65
9	E'	1501	1425	7.26
9	E'	1501	1425	7.26
10	E'	1092	1038	22.65
10	E'	1092	1038	22.65
11	E'	896	851	28.09
11	E'	896	851	28.10
12	E"	3291	3126	0.00
12	E"	3291	3126	0.00
13	E"	1226	1165	0.00
13	E"	1226	1165	0.00
14	E"	767	729	0.00
14	E"	767	729	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.880	0.000
C2	0.762	-0.440	0.000
C3	-0.762	-0.440	0.000
H4	0.000	1.470	0.909
H5	1.273	-0.735	0.909
H6	-1.273	-0.735	0.909
H7	0.000	1.470	-0.909
H8	1.273	-0.735	-0.909
H9	-1.273	-0.735	-0.909

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5245	1.5245	1.0839	2.2486	2.2486	1.0839	2.2486	2.2486
C2	1.5245		1.5245	2.2486	1.0839	2.2486	2.2486	1.0839	2.2486
C3	1.5245	1.5245		2.2486	2.2486	1.0839	2.2486	2.2486	1.0839
H4	1.0839	2.2486	2.2486		2.5461	2.5461	1.8187	3.1289	3.1289
H5	2.2486	1.0839	2.2486	2.5461		2.5461	3.1289	1.8187	3.1289
H6	2.2486	2.2486	1.0839	2.5461	2.5461		3.1289	3.1289	1.8187
H7	1.0839	2.2486	2.2486	1.8187	3.1289	3.1289		2.5461	2.5461
H8	2.2486	1.0839	2.2486	3.1289	1.8187	3.1289	2.5461		2.5461
H9	2.2486	2.2486	1.0839	3.1289	3.1289	1.8187	2.5461	2.5461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.117
C1	C2	H8	118.117	C1	C3	C2	60.000
C1	C3	H6	118.117	C1	C3	H9	118.117
C2	C1	C3	60.000	C2	C1	H4	118.117
C2	C1	H7	118.117	C2	C3	H6	118.117
C2	C3	H9	118.117	C3	C1	H4	118.117
C3	C1	H7	118.117	C3	C2	H5	118.117
C3	C2	H8	118.117	H4	C1	H7	114.062
H5	C2	H8	114.062	H6	C3	H9	114.062

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: mPW1PW91/SDD

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	-0.454
2	C	-0.454
3	C	-0.454
4	H	0.227
5	H	0.227
6	H	0.227
7	H	0.227
8	H	0.227
9	H	0.227

<r²>	44.094
(<r²>)^1/2	6.640

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: mPW1PW91/SDD

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)