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	hartrees
Energy at 0K	-117.922547
Energy at 298.15K
HF Energy	-117.922547
Nuclear repulsion energy	75.470829

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'	3134	3134	0.00	349.62	0.02	0.04
2	A₁'	1515	1515	0.00	2.05	0.20	0.33
3	A₁'	1219	1219	0.00	47.07	0.06	0.11
4	A₁"	1144	1144	0.00	0.00	0.75	0.86
5	A₂'	1051	1051	0.00	0.00	0.75	0.86
6	A₂"	3231	3231	43.94	0.00	0.75	0.86
7	A₂"	842	842	0.33	0.00	0.75	0.86
8	E'	3125	3125	32.76	28.31	0.75	0.86
8	E'	3125	3125	32.76	28.28	0.75	0.86
9	E'	1466	1466	0.37	5.03	0.75	0.86
9	E'	1466	1466	0.37	5.02	0.75	0.86
10	E'	1029	1029	7.28	0.86	0.75	0.86
10	E'	1029	1029	7.28	0.85	0.75	0.86
11	E'	894	894	18.86	7.10	0.75	0.86
11	E'	894	894	18.86	7.10	0.75	0.86
12	E"	3208	3208	0.00	106.43	0.75	0.86
12	E"	3208	3208	0.00	106.47	0.75	0.86
13	E"	1200	1200	0.00	1.16	0.75	0.86
13	E"	1200	1200	0.00	1.16	0.75	0.86
14	E"	720	720	0.00	0.47	0.75	0.86
14	E"	720	720	0.00	0.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.873	0.000
C2	0.756	-0.436	0.000
C3	-0.756	-0.436	0.000
H4	0.000	1.461	0.916
H5	1.266	-0.731	0.916
H6	-1.266	-0.731	0.916
H7	0.000	1.461	-0.916
H8	1.266	-0.731	-0.916
H9	-1.266	-0.731	-0.916

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5113	1.5113	1.0888	2.2385	2.2385	1.0888	2.2385	2.2385
C2	1.5113		1.5113	2.2385	1.0888	2.2385	2.2385	1.0888	2.2385
C3	1.5113	1.5113		2.2385	2.2385	1.0888	2.2385	2.2385	1.0888
H4	1.0888	2.2385	2.2385		2.5312	2.5312	1.8317	3.1244	3.1244
H5	2.2385	1.0888	2.2385	2.5312		2.5312	3.1244	1.8317	3.1244
H6	2.2385	2.2385	1.0888	2.5312	2.5312		3.1244	3.1244	1.8317
H7	1.0888	2.2385	2.2385	1.8317	3.1244	3.1244		2.5312	2.5312
H8	2.2385	1.0888	2.2385	3.1244	1.8317	3.1244	2.5312		2.5312
H9	2.2385	2.2385	1.0888	3.1244	3.1244	1.8317	2.5312	2.5312

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.928
C1	C2	H8	117.928	C1	C3	C2	60.000
C1	C3	H6	117.928	C1	C3	H9	117.928
C2	C1	C3	60.000	C2	C1	H4	117.928
C2	C1	H7	117.928	C2	C3	H6	117.928
C2	C3	H9	117.928	C3	C1	H4	117.928
C3	C1	H7	117.928	C3	C2	H5	117.928
C3	C2	H8	117.928	H4	C1	H7	114.521
H5	C2	H8	114.521	H6	C3	H9	114.521

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: TPSSh/daug-cc-pVDZ

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	1.419
2	C	1.419
3	C	1.419
4	H	-0.710
5	H	-0.710
6	H	-0.710
7	H	-0.710
8	H	-0.710
9	H	-0.710

<r²>	44.068
(<r²>)^1/2	6.638

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: TPSSh/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)