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	hartrees
Energy at 0K	-117.861712
Energy at 298.15K
HF Energy	-117.861712
Nuclear repulsion energy	75.251042

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'	3059	3051	0.00	305.83	0.03	0.05
2	A₁'	1478	1475	0.00	2.01	0.69	0.82
3	A₁'	1169	1166	0.00	34.96	0.06	0.12
4	A₁"	1119	1117	0.00	0.00	0.75	0.86
5	A₂'	1054	1051	0.00	0.00	0.75	0.86
6	A₂"	3146	3138	37.78	0.00	0.75	0.86
7	A₂"	846	844	0.45	0.00	0.75	0.86
8	E'	3054	3046	30.70	26.87	0.75	0.86
8	E'	3054	3046	30.70	26.87	0.75	0.86
9	E'	1443	1440	0.84	7.36	0.75	0.86
9	E'	1443	1440	0.84	7.36	0.75	0.86
10	E'	1018	1016	14.17	0.11	0.75	0.86
10	E'	1018	1016	14.17	0.11	0.75	0.86
11	E'	839	837	17.45	11.56	0.75	0.86
11	E'	839	837	17.45	11.57	0.75	0.86
12	E"	3124	3116	0.00	102.58	0.75	0.86
12	E"	3124	3116	0.00	102.58	0.75	0.86
13	E"	1182	1179	0.00	3.49	0.75	0.86
13	E"	1182	1179	0.00	3.49	0.75	0.86
14	E"	729	727	0.00	0.78	0.75	0.86
14	E"	729	727	0.00	0.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.876	0.000
C2	0.759	-0.438	0.000
C3	-0.759	-0.438	0.000
H4	0.000	1.468	0.914
H5	1.271	-0.734	0.914
H6	-1.271	-0.734	0.914
H7	0.000	1.468	-0.914
H8	1.271	-0.734	-0.914
H9	-1.271	-0.734	-0.914

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5177	1.5177	1.0887	2.2457	2.2457	1.0887	2.2457	2.2457
C2	1.5177		1.5177	2.2457	1.0887	2.2457	2.2457	1.0887	2.2457
C3	1.5177	1.5177		2.2457	2.2457	1.0887	2.2457	2.2457	1.0887
H4	1.0887	2.2457	2.2457		2.5420	2.5420	1.8282	3.1311	3.1311
H5	2.2457	1.0887	2.2457	2.5420		2.5420	3.1311	1.8282	3.1311
H6	2.2457	2.2457	1.0887	2.5420	2.5420		3.1311	3.1311	1.8282
H7	1.0887	2.2457	2.2457	1.8282	3.1311	3.1311		2.5420	2.5420
H8	2.2457	1.0887	2.2457	3.1311	1.8282	3.1311	2.5420		2.5420
H9	2.2457	2.2457	1.0887	3.1311	3.1311	1.8282	2.5420	2.5420

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.060
C1	C2	H8	118.060	C1	C3	C2	60.000
C1	C3	H6	118.060	C1	C3	H9	118.060
C2	C1	C3	60.000	C2	C1	H4	118.060
C2	C1	H7	118.060	C2	C3	H6	118.060
C2	C3	H9	118.060	C3	C1	H4	118.060
C3	C1	H7	118.060	C3	C2	H5	118.060
C3	C2	H8	118.060	H4	C1	H7	114.200
H5	C2	H8	114.200	H6	C3	H9	114.200

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: BLYP/TZVP

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	-0.268
2	C	-0.268
3	C	-0.268
4	H	0.134
5	H	0.134
6	H	0.134
7	H	0.134
8	H	0.134
9	H	0.134

<r²>	44.470
(<r²>)^1/2	6.669

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: BLYP/TZVP

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)