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	hartrees
Energy at 0K	-116.705139
Energy at 298.15K	-116.711536
HF Energy	-116.399693
Nuclear repulsion energy	74.818786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3169	3031	0.00
2	A₁'	1567	1499	0.00
3	A₁'	1140	1091	0.00
4	A₁"	1197	1145	0.00
5	A₂'	1164	1114	0.00
6	A₂"	3258	3117	25.11
7	A₂"	872	834	0.56
8	E'	3158	3020	15.55
8	E'	3158	3020	15.55
9	E'	1542	1475	2.40
9	E'	1542	1475	2.40
10	E'	1138	1088	18.03
10	E'	1138	1088	18.03
11	E'	849	812	14.65
11	E'	849	812	14.65
12	E"	3236	3096	0.00
12	E"	3236	3096	0.00
13	E"	1245	1191	0.00
13	E"	1245	1191	0.00
14	E"	785	751	0.00
14	E"	785	751	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.886	0.000
C2	0.767	-0.443	0.000
C3	-0.767	-0.443	0.000
H4	0.000	1.470	0.915
H5	1.273	-0.735	0.915
H6	-1.273	-0.735	0.915
H7	0.000	1.470	-0.915
H8	1.273	-0.735	-0.915
H9	-1.273	-0.735	-0.915

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5338	1.5338	1.0863	2.2552	2.2552	1.0863	2.2552	2.2552
C2	1.5338		1.5338	2.2552	1.0863	2.2552	2.2552	1.0863	2.2552
C3	1.5338	1.5338		2.2552	2.2552	1.0863	2.2552	2.2552	1.0863
H4	1.0863	2.2552	2.2552		2.5467	2.5467	1.8308	3.1365	3.1365
H5	2.2552	1.0863	2.2552	2.5467		2.5467	3.1365	1.8308	3.1365
H6	2.2552	2.2552	1.0863	2.5467	2.5467		3.1365	3.1365	1.8308
H7	1.0863	2.2552	2.2552	1.8308	3.1365	3.1365		2.5467	2.5467
H8	2.2552	1.0863	2.2552	3.1365	1.8308	3.1365	2.5467		2.5467
H9	2.2552	2.2552	1.0863	3.1365	3.1365	1.8308	2.5467	2.5467

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.790
C1	C2	H8	117.790	C1	C3	C2	60.000
C1	C3	H6	117.790	C1	C3	H9	117.790
C2	C1	C3	60.000	C2	C1	H4	117.790
C2	C1	H7	117.790	C2	C3	H6	117.790
C2	C3	H9	117.790	C3	C1	H4	117.790
C3	C1	H7	117.790	C3	C2	H5	117.790
C3	C2	H8	117.790	H4	C1	H7	114.857
H5	C2	H8	114.857	H6	C3	H9	114.857

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CCD/3-21G*

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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All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: CCD/3-21G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)