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	hartrees
Energy at 0K	-20.463256
Energy at 298.15K	-20.469657
HF Energy	-20.463256
Nuclear repulsion energy	42.752318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3158	3158	0.00
2	A₁'	1528	1528	0.00
3	A₁'	1232	1232	0.00
4	A₁"	1152	1152	0.00
5	A₂'	1128	1128	0.00
6	A₂"	3262	3262	51.83
7	A₂"	854	854	1.37
8	E'	3140	3140	26.89
8	E'	3140	3140	26.89
9	E'	1483	1483	4.76
9	E'	1483	1483	4.75
10	E'	1081	1081	18.00
10	E'	1081	1081	18.02
11	E'	902	902	28.58
11	E'	902	902	28.60
12	E"	3239	3239	0.00
12	E"	3239	3239	0.00
13	E"	1211	1211	0.00
13	E"	1211	1211	0.00
14	E"	759	759	0.00
14	E"	759	759	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.882	0.000
C2	0.764	-0.441	0.000
C3	-0.764	-0.441	0.000
H4	0.000	1.471	0.910
H5	1.274	-0.736	0.910
H6	-1.274	-0.736	0.910
H7	0.000	1.471	-0.910
H8	1.274	-0.736	-0.910
H9	-1.274	-0.736	-0.910

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5274	1.5274	1.0846	2.2515	2.2515	1.0846	2.2515	2.2515
C2	1.5274		1.5274	2.2515	1.0846	2.2515	2.2515	1.0846	2.2515
C3	1.5274	1.5274		2.2515	2.2515	1.0846	2.2515	2.2515	1.0846
H4	1.0846	2.2515	2.2515		2.5486	2.5486	1.8208	3.1322	3.1322
H5	2.2515	1.0846	2.2515	2.5486		2.5486	3.1322	1.8208	3.1322
H6	2.2515	2.2515	1.0846	2.5486	2.5486		3.1322	3.1322	1.8208
H7	1.0846	2.2515	2.2515	1.8208	3.1322	3.1322		2.5486	2.5486
H8	2.2515	1.0846	2.2515	3.1322	1.8208	3.1322	2.5486		2.5486
H9	2.2515	2.2515	1.0846	3.1322	3.1322	1.8208	2.5486	2.5486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.083
C1	C2	H8	118.083	C1	C3	C2	60.000
C1	C3	H6	118.083	C1	C3	H9	118.083
C2	C1	C3	60.000	C2	C1	H4	118.083
C2	C1	H7	118.083	C2	C3	H6	118.083
C2	C3	H9	118.083	C3	C1	H4	118.083
C3	C1	H7	118.083	C3	C2	H5	118.083
C3	C2	H8	118.083	H4	C1	H7	114.145
H5	C2	H8	114.145	H6	C3	H9	114.145

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B1B95/CEP-121G

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	-0.338
2	C	-0.338
3	C	-0.338
4	H	0.169
5	H	0.169
6	H	0.169
7	H	0.169
8	H	0.169
9	H	0.169

<r²>	39.668
(<r²>)^1/2	6.298

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B1B95/CEP-121G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)