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	hartrees
Energy at 0K	-117.080837
Energy at 298.15K	-117.087337
HF Energy	-117.080837
Nuclear repulsion energy	76.060328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3278	2992	0.00
2	A₁'	1636	1494	0.00
3	A₁'	1286	1174	0.00
4	A₁"	1229	1122	0.00
5	A₂'	1187	1084	0.00
6	A₂"	3372	3079	43.58
7	A₂"	899	821	0.15
8	E'	3260	2976	30.18
8	E'	3260	2976	30.18
9	E'	1561	1425	0.47
9	E'	1561	1425	0.47
10	E'	1148	1048	3.23
10	E'	1148	1048	3.23
11	E'	941	859	27.58
11	E'	941	859	27.58
12	E"	3348	3057	0.00
12	E"	3348	3057	0.00
13	E"	1295	1183	0.00
13	E"	1295	1183	0.00
14	E"	779	711	0.00
14	E"	779	711	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.865	0.000
C2	0.749	-0.433	0.000
C3	-0.749	-0.433	0.000
H4	0.000	1.451	0.909
H5	1.257	-0.726	0.909
H6	-1.257	-0.726	0.909
H7	0.000	1.451	-0.909
H8	1.257	-0.726	-0.909
H9	-1.257	-0.726	-0.909

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4987	1.4987	1.0813	2.2218	2.2218	1.0813	2.2218	2.2218
C2	1.4987		1.4987	2.2218	1.0813	2.2218	2.2218	1.0813	2.2218
C3	1.4987	1.4987		2.2218	2.2218	1.0813	2.2218	2.2218	1.0813
H4	1.0813	2.2218	2.2218		2.5135	2.5135	1.8175	3.1018	3.1018
H5	2.2218	1.0813	2.2218	2.5135		2.5135	3.1018	1.8175	3.1018
H6	2.2218	2.2218	1.0813	2.5135	2.5135		3.1018	3.1018	1.8175
H7	1.0813	2.2218	2.2218	1.8175	3.1018	3.1018		2.5135	2.5135
H8	2.2218	1.0813	2.2218	3.1018	1.8175	3.1018	2.5135		2.5135
H9	2.2218	2.2218	1.0813	3.1018	3.1018	1.8175	2.5135	2.5135

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.987
C1	C2	H8	117.987	C1	C3	C2	60.000
C1	C3	H6	117.987	C1	C3	H9	117.987
C2	C1	C3	60.000	C2	C1	H4	117.987
C2	C1	H7	117.987	C2	C3	H6	117.987
C2	C3	H9	117.987	C3	C1	H4	117.987
C3	C1	H7	117.987	C3	C2	H5	117.987
C3	C2	H8	117.987	H4	C1	H7	114.379
H5	C2	H8	114.379	H6	C3	H9	114.379

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: HF/Sadlej_pVTZ

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	1.380
2	C	1.380
3	C	1.380
4	H	-0.690
5	H	-0.690
6	H	-0.690
7	H	-0.690
8	H	-0.690
9	H	-0.690

<r²>	43.633
(<r²>)^1/2	6.606

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: HF/Sadlej_pVTZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)