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	hartrees
Energy at 0K	-190.683300
Energy at 298.15K	-190.690056
HF Energy	-190.683300
Nuclear repulsion energy	121.183479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3643	3643	38.80
2	A	3553	3553	0.27
3	A	3547	3547	0.19
4	A	3402	3402	2.76
5	A	3394	3394	2.60
6	A	3341	3341	8.65
7	A	1647	1647	5.18
8	A	1594	1594	0.09
9	A	1566	1566	3.60
10	A	1425	1425	49.73
11	A	1299	1299	2.47
12	A	1291	1291	0.89
13	A	1244	1244	1.26
14	A	1220	1220	5.08
15	A	1202	1202	0.56
16	A	1183	1183	1.13
17	A	1063	1063	1.79
18	A	1013	1013	9.51
19	A	887	887	3.04
20	A	873	873	1.49
21	A	828	828	0.32
22	A	395	395	6.43
23	A	381	381	4.81
24	A	325	325	68.42

Atom	x (Å)	y (Å)	z (Å)
C1	-0.253	0.015	0.475
C2	0.929	-0.761	-0.104
C3	0.935	0.768	-0.160
O4	-1.514	-0.115	-0.229
H5	-0.315	0.060	1.581
H6	1.608	-1.269	0.592
H7	0.762	-1.293	-1.048
H8	1.616	1.318	0.501
H9	0.777	1.230	-1.142
H10	-2.000	0.743	0.076

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5280	1.5437	1.4499	1.1091	2.2637	2.2493	2.2788	2.2694	1.9343
C2	1.5280		1.5304	2.5307	2.2497	1.0964	1.0967	2.2710	2.2505	3.2980
C3	1.5437	1.5304		2.6051	2.2574	2.2732	2.2514	1.0965	1.0963	2.9452
O4	1.4499	2.5307	2.6051		2.1782	3.4281	2.6908	3.5196	2.8096	1.0322
H5	1.1091	2.2497	2.2574	2.1782		2.5380	3.1468	2.5452	3.1581	2.3605
H6	2.2637	1.0964	2.2732	3.4281	2.5380		1.8451	2.5878	3.1527	4.1631
H7	2.2493	1.0967	2.2514	2.6908	3.1468	1.8451		3.1535	2.5253	3.6110
H8	2.2788	2.2710	1.0965	3.5196	2.5452	2.5878	3.1535		1.8466	3.6868
H9	2.2694	2.2505	1.0963	2.8096	3.1581	3.1527	2.5253	1.8466		3.0714
H10	1.9343	3.2980	2.9452	1.0322	2.3605	4.1631	3.6110	3.6868	3.0714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.628	C1	C2	H6	118.289
C1	C2	H7	117.013	C1	C3	C2	59.609
C1	C3	H8	118.359	C1	C3	H9	117.550
C1	O4	H10	101.055	C2	C1	C3	59.764
C2	C1	O4	116.362	C2	C1	H5	116.197
C2	C3	H8	118.731	C2	C3	H9	116.956
C3	C1	O4	120.940	C3	C1	H5	115.661
C3	C2	H6	118.932	C3	C2	H7	117.004
O4	C1	H5	116.045	H6	C2	H7	114.569
H8	C3	H9	114.734

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: TPSSh/STO-3G

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	-0.002
2	C	-0.157
3	C	-0.165
4	O	-0.226
5	H	0.066
6	H	0.078
7	H	0.084
8	H	0.075
9	H	0.078
10	H	0.168

	x	y	z	Total
	0.155	0.983	0.718	1.227
CHELPG
AIM
ESP

	x	y	z
x	3.284	-0.287	0.079
y	-0.287	2.651	0.099
z	0.079	0.099	2.426

<r²>	75.587
(<r²>)^1/2	8.694

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: TPSSh/STO-3G

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)