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	hartrees
Energy at 0K	-193.134796
Energy at 298.15K	-193.141719
HF Energy	-193.134796
Nuclear repulsion energy	123.929250

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3777	3635	19.91
2	A	3245	3124	14.95
3	A	3229	3108	3.37
4	A	3152	3034	9.10
5	A	3142	3024	18.84
6	A	3125	3007	35.75
7	A	1515	1458	13.02
8	A	1467	1412	1.48
9	A	1407	1354	16.19
10	A	1283	1235	51.64
11	A	1226	1180	68.11
12	A	1197	1152	0.24
13	A	1184	1140	11.10
14	A	1122	1080	1.65
15	A	1067	1027	2.61
16	A	1047	1008	25.27
17	A	987	950	14.37
18	A	935	900	24.93
19	A	836	804	13.09
20	A	815	785	8.26
21	A	752	724	3.88
22	A	398	383	19.60
23	A	395	380	4.82
24	A	315	303	122.23

Atom	x (Å)	y (Å)	z (Å)
C1	-0.235	-0.011	0.485
C2	0.909	-0.745	-0.136
C3	0.892	0.774	-0.138
O4	-1.465	-0.110	-0.200
H5	-0.321	-0.017	1.571
H6	1.609	-1.261	0.514
H7	0.702	-1.240	-1.079
H8	1.578	1.307	0.514
H9	0.686	1.259	-1.088
H10	-1.934	0.732	-0.102

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4941	1.5077	1.4111	1.0896	2.2276	2.1990	2.2409	2.2209	1.9447
C2	1.4941		1.5190	2.4577	2.2263	1.0854	1.0851	2.2538	2.2297	3.2035
C3	1.5077	1.5190		2.5175	2.2403	2.2535	2.2306	1.0862	1.0857	2.8259
O4	1.4111	2.4577	2.5175		2.1099	3.3585	2.5973	3.4311	2.6995	0.9690
H5	1.0896	2.2263	2.2403	2.1099		2.5278	3.0931	2.5449	3.1162	2.4410
H6	2.2276	1.0854	2.2535	3.3585	2.5278		1.8332	2.5675	3.1248	4.1109
H7	2.1990	1.0851	2.2306	2.5973	3.0931	1.8332		3.1287	2.4987	3.4341
H8	2.2409	2.2538	1.0862	3.4311	2.5449	2.5675	3.1287		1.8335	3.6107
H9	2.2209	2.2297	1.0857	2.6995	3.1162	3.1248	2.4987	1.8335		2.8480
H10	1.9447	3.2035	2.8259	0.9690	2.4410	4.1109	3.4341	3.6107	2.8480

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.044	C1	C2	H6	118.586
C1	C2	H7	116.088	C1	C3	C2	59.159
C1	C3	H8	118.621	C1	C3	H9	116.885
C1	O4	H10	108.145	C2	C1	C3	60.796
C2	C1	O4	115.525	C2	C1	H5	118.167
C2	C3	H8	118.862	C2	C3	H9	116.769
C3	C1	O4	119.169	C3	C1	H5	118.319
C3	C2	H6	118.884	C3	C2	H7	116.890
O4	C1	H5	114.459	H6	C2	H7	115.257
H8	C3	H9	115.172

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: TPSSh/6-31+G**

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	-0.111
2	C	-0.237
3	C	-0.319
4	O	-0.497
5	H	0.149
6	H	0.161
7	H	0.179
8	H	0.158
9	H	0.171
10	H	0.346

	x	y	z	Total
	0.534	1.400	0.765	1.682
CHELPG
AIM
ESP

	x	y	z
x	6.172	-0.096	-0.028
y	-0.096	5.796	-0.014
z	-0.028	-0.014	5.267

<r²>	73.840
(<r²>)^1/2	8.593

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: TPSSh/6-31+G**

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)