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	hartrees
Energy at 0K	-117.951341
Energy at 298.15K
HF Energy	-117.951341
Nuclear repulsion energy	75.846144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁'	3132	3033	0.00	306.60	0.03	0.05
2	A₁'	1522	1473	0.00	1.91	0.75	0.86
3	A₁'	1216	1178	0.00	37.43	0.06	0.12
4	A₁"	1160	1123	0.00	0.00	0.75	0.86
5	A₂'	1086	1052	0.00	0.00	0.75	0.86
6	A₂"	3221	3119	36.83	0.00	0.75	0.86
7	A₂"	849	822	0.47	0.00	0.75	0.86
8	E'	3124	3025	29.84	24.05	0.75	0.86
8	E'	3124	3025	29.84	24.04	0.75	0.86
9	E'	1479	1432	0.48	6.71	0.75	0.86
9	E'	1479	1432	0.48	6.71	0.75	0.86
10	E'	1053	1020	8.47	0.57	0.75	0.86
10	E'	1053	1020	8.47	0.57	0.75	0.86
11	E'	898	869	17.99	10.98	0.75	0.86
11	E'	898	869	17.99	10.99	0.75	0.86
12	E"	3200	3098	0.00	102.24	0.75	0.86
12	E"	3200	3098	0.00	102.25	0.75	0.86
13	E"	1215	1176	0.00	3.75	0.75	0.86
13	E"	1215	1176	0.00	3.74	0.75	0.86
14	E"	731	708	0.00	0.98	0.75	0.86
14	E"	731	708	0.00	0.98	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.869	0.000
C2	0.752	-0.434	0.000
C3	-0.752	-0.434	0.000
H4	0.000	1.455	0.909
H5	1.260	-0.728	0.909
H6	-1.260	-0.728	0.909
H7	0.000	1.455	-0.909
H8	1.260	-0.728	-0.909
H9	-1.260	-0.728	-0.909

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5044	1.5044	1.0823	2.2279	2.2279	1.0823	2.2279	2.2279
C2	1.5044		1.5044	2.2279	1.0823	2.2279	2.2279	1.0823	2.2279
C3	1.5044	1.5044		2.2279	2.2279	1.0823	2.2279	2.2279	1.0823
H4	1.0823	2.2279	2.2279		2.5206	2.5206	1.8190	3.1084	3.1084
H5	2.2279	1.0823	2.2279	2.5206		2.5206	3.1084	1.8190	3.1084
H6	2.2279	2.2279	1.0823	2.5206	2.5206		3.1084	3.1084	1.8190
H7	1.0823	2.2279	2.2279	1.8190	3.1084	3.1084		2.5206	2.5206
H8	2.2279	1.0823	2.2279	3.1084	1.8190	3.1084	2.5206		2.5206
H9	2.2279	2.2279	1.0823	3.1084	3.1084	1.8190	2.5206	2.5206

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.999
C1	C2	H8	117.999	C1	C3	C2	60.000
C1	C3	H6	117.999	C1	C3	H9	117.999
C2	C1	C3	60.000	C2	C1	H4	117.999
C2	C1	H7	117.999	C2	C3	H6	117.999
C2	C3	H9	117.999	C3	C1	H4	117.999
C3	C1	H7	117.999	C3	C2	H5	117.999
C3	C2	H8	117.999	H4	C1	H7	114.349
H5	C2	H8	114.349	H6	C3	H9	114.349

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: TPSSh/cc-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	-0.171
2	C	-0.171
3	C	-0.171
4	H	0.085
5	H	0.085
6	H	0.085
7	H	0.085
8	H	0.085
9	H	0.085

<r²>	43.674
(<r²>)^1/2	6.609

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)