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	hartrees
Energy at 0K	-192.927565
Energy at 298.15K	-192.934463
HF Energy	-192.927565
Nuclear repulsion energy	122.631929

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3520	3520	1.46
2	A	3215	3215	24.00
3	A	3196	3196	4.27
4	A	3116	3116	9.40
5	A	3104	3104	19.51
6	A	3078	3078	48.69
7	A	1496	1496	7.44
8	A	1472	1472	3.30
9	A	1408	1408	5.52
10	A	1279	1279	37.83
11	A	1195	1195	5.29
12	A	1193	1193	49.31
13	A	1157	1157	21.79
14	A	1122	1122	1.21
15	A	1081	1081	4.07
16	A	1055	1055	29.73
17	A	949	949	14.06
18	A	919	919	26.98
19	A	835	835	12.19
20	A	811	811	5.96
21	A	751	751	7.54
22	A	398	398	6.79
23	A	390	390	25.88
24	A	316	316	144.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.229	-0.004	0.492
C2	0.913	-0.755	-0.134
C3	0.910	0.776	-0.145
O4	-1.486	-0.109	-0.204
H5	-0.312	-0.001	1.582
H6	1.611	-1.280	0.516
H7	0.697	-1.257	-1.074
H8	1.603	1.312	0.502
H9	0.705	1.261	-1.098
H10	-1.985	0.731	-0.082

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5037	1.5206	1.4402	1.0930	2.2394	2.2096	2.2560	2.2360	1.9881
C2	1.5037		1.5303	2.4858	2.2391	1.0885	1.0879	2.2695	2.2437	3.2576
C3	1.5206	1.5303		2.5549	2.2538	2.2701	2.2450	1.0892	1.0886	2.8964
O4	1.4402	2.4858	2.5549		2.1396	3.3882	2.6161	3.4727	2.7342	0.9846
H5	1.0930	2.2391	2.2538	2.1396		2.5434	3.1068	2.5609	3.1316	2.4705
H6	2.2394	1.0885	2.2701	3.3882	2.5434		1.8343	2.5920	3.1433	4.1633
H7	2.2096	1.0879	2.2450	2.6161	3.1068	1.8343		3.1471	2.5177	3.4833
H8	2.2560	2.2695	1.0892	3.4727	2.5609	2.5920	3.1471		1.8353	3.6816
H9	2.2360	2.2437	1.0886	2.7342	3.1316	3.1433	2.5177	1.8353		2.9240
H10	1.9881	3.2576	2.8964	0.9846	2.4705	4.1633	3.4833	3.6816	2.9240

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.148	C1	C2	H6	118.641
C1	C2	H7	116.070	C1	C3	C2	59.059
C1	C3	H8	118.708	C1	C3	H9	116.991
C1	O4	H10	108.693	C2	C1	C3	60.793
C2	C1	O4	115.198	C2	C1	H5	118.285
C2	C3	H8	119.126	C2	C3	H9	116.897
C3	C1	O4	119.269	C3	C1	H5	118.235
C3	C2	H6	119.229	C3	C2	H7	117.061
O4	C1	H5	114.569	H6	C2	H7	114.874
H8	C3	H9	114.855

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B97D3/6-31G

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	0.051
2	C	-0.288
3	C	-0.309
4	O	-0.578
5	H	0.141
6	H	0.152
7	H	0.174
8	H	0.147
9	H	0.159
10	H	0.353

	x	y	z	Total
	0.507	1.513	0.812	1.790
CHELPG
AIM
ESP

	x	y	z
x	5.408	-0.249	0.207
y	-0.249	4.955	0.043
z	0.207	0.043	4.519

<r²>	74.863
(<r²>)^1/2	8.652

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B97D3/6-31G

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)