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	hartrees
Energy at 0K	-192.043287
Energy at 298.15K	-192.050166
HF Energy	-192.043287
Nuclear repulsion energy	122.652916

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3438	3320	0.51
2	A	3270	3158	11.84
3	A	3251	3139	2.41
4	A	3171	3062	5.87
5	A	3160	3051	12.88
6	A	3122	3015	43.69
7	A	1513	1461	6.18
8	A	1489	1438	4.61
9	A	1427	1378	2.62
10	A	1297	1253	59.76
11	A	1208	1167	0.25
12	A	1174	1134	3.09
13	A	1167	1127	57.16
14	A	1142	1103	1.92
15	A	1088	1051	5.87
16	A	1060	1024	32.72
17	A	955	922	12.11
18	A	902	871	21.45
19	A	827	799	9.40
20	A	800	772	3.78
21	A	754	728	4.58
22	A	386	372	36.29
23	A	357	345	17.73
24	A	341	329	99.95

Atom	x (Å)	y (Å)	z (Å)
C1	-0.230	0.002	0.502
C2	0.906	-0.761	-0.135
C3	0.912	0.775	-0.151
O4	-1.482	-0.111	-0.201
H5	-0.280	0.012	1.589
H6	1.609	-1.279	0.506
H7	0.653	-1.245	-1.072
H8	1.614	1.296	0.490
H9	0.690	1.242	-1.105
H10	-1.955	0.762	-0.090

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5094	1.5259	1.4398	1.0891	2.2416	2.1935	2.2530	2.2277	1.9755
C2	1.5094		1.5360	2.4754	2.2314	1.0839	1.0839	2.2634	2.2353	3.2414
C3	1.5259	1.5360		2.5531	2.2437	2.2669	2.2347	1.0846	1.0844	2.8680
O4	1.4398	2.4754	2.5531		2.1598	3.3791	2.5698	3.4704	2.7134	0.9992
H5	1.0891	2.2314	2.2437	2.1598		2.5319	3.0878	2.5387	3.1163	2.4875
H6	2.2416	1.0839	2.2669	3.3791	2.5319		1.8450	2.5750	3.1298	4.1504
H7	2.1935	1.0839	2.2347	2.5698	3.0878	1.8450		3.1334	2.4870	3.4348
H8	2.2530	2.2634	1.0846	3.4704	2.5387	2.5750	3.1334		1.8447	3.6557
H9	2.2277	2.2353	1.0844	2.7134	3.1163	3.1298	2.4870	1.8447		2.8734
H10	1.9755	3.2414	2.8680	0.9992	2.4875	4.1504	3.4348	3.6557	2.8734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.130	C1	C2	H6	118.706
C1	C2	H7	114.527	C1	C3	C2	59.071
C1	C3	H8	118.335	C1	C3	H9	116.149
C1	O4	H10	106.789	C2	C1	C3	60.799
C2	C1	O4	114.121	C2	C1	H5	117.430
C2	C3	H8	118.446	C2	C3	H9	116.014
C3	C1	O4	118.801	C3	C1	H5	117.208
C3	C2	H6	118.809	C3	C2	H7	116.005
O4	C1	H5	116.625	H6	C2	H7	116.662
H8	C3	H9	116.521

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: TPSSh/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	-0.031
2	C	-0.429
3	C	-0.453
4	O	-0.539
5	H	0.205
6	H	0.218
7	H	0.244
8	H	0.214
9	H	0.229
10	H	0.340

	x	y	z	Total
	0.371	1.445	0.699	1.647
CHELPG
AIM
ESP

	x	y	z
x	5.074	-0.288	0.200
y	-0.288	4.684	0.026
z	0.200	0.026	4.240

<r²>	74.573
(<r²>)^1/2	8.636

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: TPSSh/3-21G*

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)