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	hartrees
Energy at 0K	-117.825335
Energy at 298.15K
HF Energy	-117.825335
Nuclear repulsion energy	76.000266

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'	3186	3025	0.00	238.84	0.04	0.08
2	A₁'	1554	1476	0.00	5.06	0.75	0.86
3	A₁'	1256	1192	0.00	28.30	0.10	0.17
4	A₁"	1167	1108	0.00	0.00	0.75	0.86
5	A₂'	1091	1036	0.00	0.00	0.75	0.86
6	A₂"	3276	3110	32.32	0.00	0.75	0.86
7	A₂"	865	821	0.68	0.00	0.75	0.86
8	E'	3178	3017	25.04	20.09	0.75	0.86
8	E'	3178	3017	25.04	20.09	0.75	0.86
9	E'	1495	1419	0.79	8.93	0.75	0.86
9	E'	1495	1419	0.79	8.93	0.75	0.86
10	E'	1075	1020	8.35	0.04	0.75	0.86
10	E'	1075	1020	8.35	0.04	0.75	0.86
11	E'	930	882	19.88	14.14	0.75	0.86
11	E'	930	882	19.88	14.14	0.75	0.86
12	E"	3257	3091	0.00	94.08	0.75	0.86
12	E"	3257	3091	0.00	94.08	0.75	0.86
13	E"	1225	1163	0.00	11.17	0.75	0.86
13	E"	1225	1163	0.00	11.17	0.75	0.86
14	E"	743	705	0.00	2.62	0.75	0.86
14	E"	743	705	0.00	2.62	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.865	0.000
C2	0.749	-0.432	0.000
C3	-0.749	-0.432	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		1.4982	1.4982	1.0839	2.2250	2.2250	1.0839	2.2250	2.2250
C2	1.4982		1.4982	2.2250	1.0839	2.2250	2.2250	1.0839	2.2250
C3	1.4982	1.4982		2.2250	2.2250	1.0839	2.2250	2.2250	1.0839
H4	1.0839	2.2250	2.2250		2.5201	2.5201	1.8185	3.1078	3.1078
H5	2.2250	1.0839	2.2250	2.5201		2.5201	3.1078	1.8185	3.1078
H6	2.2250	2.2250	1.0839	2.5201	2.5201		3.1078	3.1078	1.8185
H7	1.0839	2.2250	2.2250	1.8185	3.1078	3.1078		2.5201	2.5201
H8	2.2250	1.0839	2.2250	3.1078	1.8185	3.1078	2.5201		2.5201
H9	2.2250	2.2250	1.0839	3.1078	3.1078	1.8185	2.5201	2.5201

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.125
C1	C2	H8	118.125	C1	C3	C2	60.000
C1	C3	H6	118.125	C1	C3	H9	118.125
C2	C1	C3	60.000	C2	C1	H4	118.125
C2	C1	H7	118.125	C2	C3	H6	118.125
C2	C3	H9	118.125	C3	C1	H4	118.125
C3	C1	H7	118.125	C3	C2	H5	118.125
C3	C2	H8	118.125	H4	C1	H7	114.042
H5	C2	H8	114.042	H6	C3	H9	114.042

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B1B95/6-31G*

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	-0.343
2	C	-0.343
3	C	-0.343
4	H	0.171
5	H	0.171
6	H	0.171
7	H	0.171
8	H	0.171
9	H	0.171

<r²>	43.284
(<r²>)^1/2	6.579

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)