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	hartrees
Energy at 0K	-190.610565
Energy at 298.15K	-190.617382
HF Energy	-190.610565
Nuclear repulsion energy	121.943076

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3778	3320	27.95
2	A	3600	3164	1.22
3	A	3594	3159	0.16
4	A	3448	3030	3.97
5	A	3437	3021	4.54
6	A	3394	2983	7.39
7	A	1668	1466	7.45
8	A	1599	1406	0.82
9	A	1584	1393	2.07
10	A	1451	1275	51.07
11	A	1325	1164	2.26
12	A	1302	1144	0.15
13	A	1268	1115	1.72
14	A	1242	1092	5.39
15	A	1223	1075	0.74
16	A	1209	1062	1.83
17	A	1084	952	1.08
18	A	1036	910	10.55
19	A	907	797	3.15
20	A	891	783	1.63
21	A	842	740	0.52
22	A	408	358	6.49
23	A	393	345	5.57
24	A	320	281	76.46

Atom	x (Å)	y (Å)	z (Å)
C1	-0.253	0.009	0.472
C2	0.928	-0.754	-0.107
C3	0.924	0.767	-0.156
O4	-1.503	-0.116	-0.224
H5	-0.313	0.047	1.575
H6	1.607	-1.259	0.583
H7	0.762	-1.282	-1.049
H8	1.599	1.316	0.504
H9	0.761	1.232	-1.131
H10	-1.983	0.740	0.057

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5203	1.5339	1.4369	1.1052	2.2540	2.2384	2.2671	2.2567	1.9238
C2	1.5203		1.5220	2.5161	2.2387	1.0924	1.0928	2.2606	2.2404	3.2760
C3	1.5339	1.5220		2.5837	2.2459	2.2626	2.2413	1.0925	1.0924	2.9146
O4	1.4369	2.5161	2.5837		2.1635	3.4109	2.6775	3.4942	2.7868	1.0210
H5	1.1052	2.2387	2.2459	2.1635		2.5257	3.1320	2.5327	3.1432	2.3609
H6	2.2540	1.0924	2.2626	3.4109	2.5257		1.8387	2.5766	3.1399	4.1431
H7	2.2384	1.0928	2.2413	2.6775	3.1320	1.8387		3.1409	2.5149	3.5839
H8	2.2671	2.2606	1.0925	3.4942	2.5327	2.5766	3.1409		1.8396	3.6560
H9	2.2567	2.2404	1.0924	2.7868	3.1432	3.1399	2.5149	1.8396		3.0301
H10	1.9238	3.2760	2.9146	1.0210	2.3609	4.1431	3.5839	3.6560	3.0301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.556	C1	C2	H6	118.319
C1	C2	H7	116.932	C1	C3	C2	59.668
C1	C3	H8	118.386	C1	C3	H9	117.473
C1	O4	H10	101.676	C2	C1	C3	59.776
C2	C1	O4	116.572	C2	C1	H5	116.109
C2	C3	H8	118.769	C2	C3	H9	116.993
C3	C1	O4	120.812	C3	C1	H5	115.682
C3	C2	H6	118.949	C3	C2	H7	117.053
O4	C1	H5	116.040	H6	C2	H7	114.585
H8	C3	H9	114.698

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: mPW1PW91/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	-0.006
2	C	-0.176
3	C	-0.184
4	O	-0.243
5	H	0.075
6	H	0.087
7	H	0.094
8	H	0.084
9	H	0.088
10	H	0.180

	x	y	z	Total
	0.195	1.053	0.738	1.300
CHELPG
AIM
ESP

	x	y	z
x	3.157	-0.282	0.083
y	-0.282	2.591	0.086
z	0.083	0.086	2.363

<r²>	74.735
(<r²>)^1/2	8.645

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: mPW1PW91/STO-3G

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)