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	hartrees
Energy at 0K	-116.354894
Energy at 298.15K
HF Energy	-116.354894
Nuclear repulsion energy	75.181624

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'	3458	3054	0.00	87.66	0.05	0.10
2	A₁'	1674	1478	0.00	14.20	0.72	0.84
3	A₁'	1344	1187	0.00	19.62	0.20	0.33
4	A₁"	1267	1119	0.00	0.00	0.75	0.86
5	A₂'	1224	1081	0.00	0.00	0.75	0.86
6	A₂"	3604	3183	0.51	0.00	0.75	0.86
7	A₂"	898	793	0.72	0.00	0.75	0.86
8	E'	3443	3041	3.20	8.64	0.75	0.86
8	E'	3443	3041	3.20	8.64	0.75	0.86
9	E'	1616	1427	0.70	8.37	0.75	0.86
9	E'	1616	1427	0.70	8.37	0.75	0.86
10	E'	1240	1095	2.08	0.00	0.75	0.86
10	E'	1240	1095	2.08	0.00	0.75	0.86
11	E'	1023	904	7.71	10.44	0.75	0.86
11	E'	1023	904	7.71	10.44	0.75	0.86
12	E"	3596	3176	0.00	40.57	0.75	0.86
12	E"	3596	3176	0.00	40.57	0.75	0.86
13	E"	1315	1161	0.00	11.86	0.75	0.86
13	E"	1315	1161	0.00	11.86	0.75	0.86
14	E"	815	720	0.00	2.17	0.75	0.86
14	E"	815	720	0.00	2.17	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	1.469	0.917
H5	1.272	-0.735	0.917
H6	-1.272	-0.735	0.917
H7	0.000	1.469	-0.917
H8	1.272	-0.735	-0.917
H9	-1.272	-0.735	-0.917

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5171	1.5171	1.0924	2.2482	2.2482	1.0924	2.2482	2.2482
C2	1.5171		1.5171	2.2482	1.0924	2.2482	2.2482	1.0924	2.2482
C3	1.5171	1.5171		2.2482	2.2482	1.0924	2.2482	2.2482	1.0924
H4	1.0924	2.2482	2.2482		2.5449	2.5449	1.8344	3.1371	3.1371
H5	2.2482	1.0924	2.2482	2.5449		2.5449	3.1371	1.8344	3.1371
H6	2.2482	2.2482	1.0924	2.5449	2.5449		3.1371	3.1371	1.8344
H7	1.0924	2.2482	2.2482	1.8344	3.1371	3.1371		2.5449	2.5449
H8	2.2482	1.0924	2.2482	3.1371	1.8344	3.1371	2.5449		2.5449
H9	2.2482	2.2482	1.0924	3.1371	3.1371	1.8344	2.5449	2.5449

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	114.201
H5	C2	H8	114.201	H6	C3	H9	114.201

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: HSEh1PBE/STO-3G

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	-0.172
2	C	-0.172
3	C	-0.172
4	H	0.086
5	H	0.086
6	H	0.086
7	H	0.086
8	H	0.086
9	H	0.086

<r²>	43.407
(<r²>)^1/2	6.588

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: HSEh1PBE/STO-3G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)