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	hartrees
Energy at 0K	-117.841404
Energy at 298.15K
HF Energy	-117.841404
Nuclear repulsion energy	75.854976

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'	3181	3029	0.00	281.41	0.04	0.07
2	A₁'	1541	1467	0.00	2.20	0.22	0.36
3	A₁'	1244	1184	0.00	43.75	0.08	0.15
4	A₁"	1152	1097	0.00	0.00	0.75	0.86
5	A₂'	1087	1035	0.00	0.00	0.75	0.86
6	A₂"	3273	3117	24.60	0.00	0.75	0.86
7	A₂"	862	821	0.72	0.00	0.75	0.86
8	E'	3174	3022	18.92	25.00	0.75	0.86
8	E'	3174	3022	18.92	25.03	0.75	0.86
9	E'	1476	1405	1.14	7.34	0.75	0.86
9	E'	1476	1405	1.15	7.28	0.75	0.86
10	E'	1060	1009	11.68	0.72	0.75	0.86
10	E'	1060	1009	11.67	0.69	0.75	0.86
11	E'	924	880	26.15	11.57	0.75	0.86
11	E'	924	880	26.13	11.55	0.75	0.86
12	E"	3256	3100	0.00	102.45	0.75	0.86
12	E"	3256	3100	0.00	102.50	0.75	0.86
13	E"	1212	1154	0.00	4.56	0.75	0.86
13	E"	1212	1154	0.00	4.52	0.75	0.86
14	E"	745	709	0.00	0.43	0.75	0.86
14	E"	745	709	0.00	0.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.868	0.000
C2	0.751	-0.434	0.000
C3	-0.751	-0.434	0.000
H4	0.000	1.454	0.912
H5	1.259	-0.727	0.912
H6	-1.259	-0.727	0.912
H7	0.000	1.454	-0.912
H8	1.259	-0.727	-0.912
H9	-1.259	-0.727	-0.912

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5030	1.5030	1.0842	2.2272	2.2272	1.0842	2.2272	2.2272
C2	1.5030		1.5030	2.2272	1.0842	2.2272	2.2272	1.0842	2.2272
C3	1.5030	1.5030		2.2272	2.2272	1.0842	2.2272	2.2272	1.0842
H4	1.0842	2.2272	2.2272		2.5183	2.5183	1.8242	3.1096	3.1096
H5	2.2272	1.0842	2.2272	2.5183		2.5183	3.1096	1.8242	3.1096
H6	2.2272	2.2272	1.0842	2.5183	2.5183		3.1096	3.1096	1.8242
H7	1.0842	2.2272	2.2272	1.8242	3.1096	3.1096		2.5183	2.5183
H8	2.2272	1.0842	2.2272	3.1096	1.8242	3.1096	2.5183		2.5183
H9	2.2272	2.2272	1.0842	3.1096	3.1096	1.8242	2.5183	2.5183

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.919
C1	C2	H8	117.919	C1	C3	C2	60.000
C1	C3	H6	117.919	C1	C3	H9	117.919
C2	C1	C3	60.000	C2	C1	H4	117.919
C2	C1	H7	117.919	C2	C3	H6	117.919
C2	C3	H9	117.919	C3	C1	H4	117.919
C3	C1	H7	117.919	C3	C2	H5	117.919
C3	C2	H8	117.919	H4	C1	H7	114.544
H5	C2	H8	114.544	H6	C3	H9	114.544

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: M06-2X/6-31+G**

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	-0.327
2	C	-0.327
3	C	-0.327
4	H	0.163
5	H	0.163
6	H	0.163
7	H	0.163
8	H	0.163
9	H	0.163

<r²>	43.777
(<r²>)^1/2	6.616

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: M06-2X/6-31+G**

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)