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	hartrees
Energy at 0K	-20.135361
Energy at 298.15K	-20.141774
HF Energy	-19.865600
Nuclear repulsion energy	42.238561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3108	2930	0.00
2	A₁'	1525	1438	0.00
3	A₁'	1186	1118	0.00
4	A₁"	1196	1128	0.00
5	A₂'	1135	1070	0.00
6	A₂"	3222	3038	58.64
7	A₂"	862	813	0.22
8	E'	3090	2913	28.91
8	E'	3090	2913	28.91
9	E'	1496	1410	0.93
9	E'	1496	1410	0.93
10	E'	1136	1071	15.84
10	E'	1136	1071	15.84
11	E'	853	804	26.94
11	E'	853	804	26.94
12	E"	3198	3014	0.00
12	E"	3198	3014	0.00
13	E"	1233	1163	0.00
13	E"	1233	1163	0.00
14	E"	781	736	0.00
14	E"	781	736	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.897	0.000
C2	0.777	-0.449	0.000
C3	-0.777	-0.449	0.000
H4	0.000	1.484	0.921
H5	1.285	-0.742	0.921
H6	-1.285	-0.742	0.921
H7	0.000	1.484	-0.921
H8	1.285	-0.742	-0.921
H9	-1.285	-0.742	-0.921

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5540	1.5540	1.0915	2.2769	2.2769	1.0915	2.2769	2.2769
C2	1.5540		1.5540	2.2770	1.0915	2.2769	2.2770	1.0915	2.2769
C3	1.5540	1.5540		2.2770	2.2769	1.0915	2.2770	2.2769	1.0915
H4	1.0915	2.2770	2.2770		2.5696	2.5696	1.8413	3.1612	3.1612
H5	2.2769	1.0915	2.2769	2.5696		2.5696	3.1612	1.8413	3.1612
H6	2.2769	2.2769	1.0915	2.5696	2.5696		3.1612	3.1612	1.8413
H7	1.0915	2.2770	2.2770	1.8413	3.1612	3.1612		2.5696	2.5696
H8	2.2769	1.0915	2.2769	3.1612	1.8413	3.1612	2.5696		2.5696
H9	2.2769	2.2769	1.0915	3.1612	3.1612	1.8413	2.5696	2.5696

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.725
C1	C2	H8	117.725	C1	C3	C2	60.000
C1	C3	H6	117.725	C1	C3	H9	117.725
C2	C1	C3	60.000	C2	C1	H4	117.725
C2	C1	H7	117.725	C2	C3	H6	117.725
C2	C3	H9	117.725	C3	C1	H4	117.725
C3	C1	H7	117.725	C3	C2	H5	117.725
C3	C2	H8	117.725	H4	C1	H7	115.014
H5	C2	H8	115.014	H6	C3	H9	115.014

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: MP2=FULL/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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All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: MP2=FULL/CEP-121G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)