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	hartrees
Energy at 0K	-117.246428
Energy at 298.15K
HF Energy	-117.246428
Nuclear repulsion energy	75.177255

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'	3171	3060	0.00	202.74	0.04	0.08
2	A₁'	1544	1490	0.00	8.84	0.70	0.82
3	A₁'	1163	1122	0.00	24.75	0.07	0.14
4	A₁"	1169	1127	0.00	0.00	0.75	0.86
5	A₂'	1133	1093	0.00	0.00	0.75	0.86
6	A₂"	3264	3150	24.94	0.00	0.75	0.86
7	A₂"	867	837	1.07	0.00	0.75	0.86
8	E'	3163	3052	18.57	16.08	0.75	0.86
8	E'	3163	3052	18.57	16.08	0.75	0.86
9	E'	1521	1467	3.26	9.36	0.75	0.86
9	E'	1521	1467	3.26	9.36	0.75	0.86
10	E'	1085	1047	22.49	0.17	0.75	0.86
10	E'	1085	1047	22.49	0.17	0.75	0.86
11	E'	852	822	15.23	16.34	0.75	0.86
11	E'	852	822	15.23	16.34	0.75	0.86
12	E"	3240	3127	0.00	82.68	0.75	0.86
12	E"	3240	3127	0.00	82.68	0.75	0.86
13	E"	1231	1188	0.00	13.14	0.75	0.86
13	E"	1231	1188	0.00	13.14	0.75	0.86
14	E"	766	739	0.00	3.61	0.75	0.86
14	E"	766	739	0.00	3.61	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.880	0.000
C2	0.762	-0.440	0.000
C3	-0.762	-0.440	0.000
H4	0.000	1.463	0.913
H5	1.267	-0.731	0.913
H6	-1.267	-0.731	0.913
H7	0.000	1.463	-0.913
H8	1.267	-0.731	-0.913
H9	-1.267	-0.731	-0.913

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5250	1.5250	1.0833	2.2444	2.2444	1.0833	2.2444	2.2444
C2	1.5250		1.5250	2.2444	1.0833	2.2444	2.2444	1.0833	2.2444
C3	1.5250	1.5250		2.2444	2.2444	1.0833	2.2444	2.2444	1.0833
H4	1.0833	2.2444	2.2444		2.5336	2.5336	1.8270	3.1236	3.1236
H5	2.2444	1.0833	2.2444	2.5336		2.5336	3.1236	1.8270	3.1236
H6	2.2444	2.2444	1.0833	2.5336	2.5336		3.1236	3.1236	1.8270
H7	1.0833	2.2444	2.2444	1.8270	3.1236	3.1236		2.5336	2.5336
H8	2.2444	1.0833	2.2444	3.1236	1.8270	3.1236	2.5336		2.5336
H9	2.2444	2.2444	1.0833	3.1236	3.1236	1.8270	2.5336	2.5336

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.744
C1	C2	H8	117.744	C1	C3	C2	60.000
C1	C3	H6	117.744	C1	C3	H9	117.744
C2	C1	C3	60.000	C2	C1	H4	117.744
C2	C1	H7	117.744	C2	C3	H6	117.744
C2	C3	H9	117.744	C3	C1	H4	117.744
C3	C1	H7	117.744	C3	C2	H5	117.744
C3	C2	H8	117.744	H4	C1	H7	114.968
H5	C2	H8	114.968	H6	C3	H9	114.968

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B3LYP/3-21G

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	-0.402
2	C	-0.402
3	C	-0.402
4	H	0.201
5	H	0.201
6	H	0.201
7	H	0.201
8	H	0.201
9	H	0.201

<r²>	44.151
(<r²>)^1/2	6.645

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)