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	hartrees
Energy at 0K	-193.100551
Energy at 298.15K	-193.107404
HF Energy	-193.100551
Nuclear repulsion energy	123.146354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3641	3632	11.82
2	A	3149	3141	15.65
3	A	3133	3126	2.66
4	A	3063	3055	10.40
5	A	3054	3046	16.61
6	A	3023	3016	37.64
7	A	1458	1454	9.81
8	A	1424	1421	2.20
9	A	1368	1364	7.32
10	A	1257	1254	47.35
11	A	1173	1170	53.04
12	A	1164	1161	0.97
13	A	1143	1140	17.62
14	A	1090	1087	1.32
15	A	1036	1033	2.77
16	A	1010	1007	25.17
17	A	933	930	21.93
18	A	890	888	21.08
19	A	809	807	10.51
20	A	790	788	6.16
21	A	728	726	5.85
22	A	400	399	6.55
23	A	395	394	18.10
24	A	311	310	109.94

Atom	x (Å)	y (Å)	z (Å)
C1	-0.234	-0.009	0.484
C2	0.914	-0.751	-0.134
C3	0.901	0.777	-0.140
O4	-1.479	-0.111	-0.201
H5	-0.318	-0.009	1.575
H6	1.612	-1.270	0.521
H7	0.711	-1.249	-1.080
H8	1.587	1.312	0.515
H9	0.700	1.262	-1.094
H10	-1.945	0.739	-0.091

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5005	1.5159	1.4248	1.0938	2.2360	2.2086	2.2504	2.2315	1.9538
C2	1.5005		1.5284	2.4786	2.2337	1.0884	1.0882	2.2654	2.2408	3.2243
C3	1.5159	1.5284		2.5415	2.2470	2.2657	2.2413	1.0892	1.0887	2.8469
O4	1.4248	2.4786	2.5415		2.1240	3.3794	2.6203	3.4555	2.7259	0.9749
H5	1.0938	2.2337	2.2470	2.1240		2.5351	3.1057	2.5498	3.1268	2.4457
H6	2.2360	1.0884	2.2657	3.3794	2.5351		1.8371	2.5824	3.1387	4.1305
H7	2.2086	1.0882	2.2413	2.6203	3.1057	1.8371		3.1417	2.5107	3.4616
H8	2.2504	2.2654	1.0892	3.4555	2.5498	2.5824	3.1417		1.8384	3.6294
H9	2.2315	2.2408	1.0887	2.7259	3.1268	3.1387	2.5107	1.8384		2.8765
H10	1.9538	3.2243	2.8469	0.9749	2.4457	4.1305	3.4616	3.6294	2.8765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.055	C1	C2	H6	118.595
C1	C2	H7	116.203	C1	C3	C2	59.059
C1	C3	H8	118.585	C1	C3	H9	116.959
C1	O4	H10	107.530	C2	C1	C3	60.886
C2	C1	O4	115.811	C2	C1	H5	118.006
C2	C3	H8	118.903	C2	C3	H9	116.784
C3	C1	O4	119.561	C3	C1	H5	117.949
C3	C2	H6	118.992	C3	C2	H7	116.858
O4	C1	H5	114.343	H6	C2	H7	115.132
H8	C3	H9	115.152

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: BLYP/TZVP

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	-0.073
2	C	-0.247
3	C	-0.281
4	O	-0.331
5	H	0.128
6	H	0.138
7	H	0.142
8	H	0.127
9	H	0.141
10	H	0.255

	x	y	z	Total
	0.440	1.322	0.705	1.562
CHELPG
AIM
ESP

	x	y	z
x	6.418	-0.164	0.023
y	-0.164	6.059	-0.000
z	0.023	-0.000	5.467

<r²>	74.875
(<r²>)^1/2	8.653

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: BLYP/TZVP

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)