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	hartrees
Energy at 0K	-190.436681
Energy at 298.15K	-190.443504
HF Energy	-190.436681
Nuclear repulsion energy	122.048875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3786	3339	26.95
2	A	3604	3180	1.41
3	A	3598	3174	0.17
4	A	3452	3045	4.12
5	A	3442	3036	4.76
6	A	3399	2998	7.36
7	A	1670	1473	7.93
8	A	1598	1410	0.94
9	A	1585	1399	1.91
10	A	1453	1281	51.56
11	A	1328	1171	2.07
12	A	1302	1149	0.13
13	A	1271	1121	1.77
14	A	1244	1097	5.73
15	A	1225	1080	0.75
16	A	1210	1068	1.87
17	A	1086	958	1.04
18	A	1040	917	10.55
19	A	910	803	3.21
20	A	892	787	1.64
21	A	843	743	0.54
22	A	408	360	6.88
23	A	393	347	5.57
24	A	320	283	76.41

Atom	x (Å)	y (Å)	z (Å)
C1	-0.252	0.010	0.472
C2	0.926	-0.753	-0.107
C3	0.923	0.766	-0.156
O4	-1.501	-0.116	-0.224
H5	-0.313	0.048	1.575
H6	1.606	-1.258	0.583
H7	0.759	-1.281	-1.049
H8	1.599	1.315	0.503
H9	0.759	1.231	-1.131
H10	-1.982	0.739	0.058

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5189	1.5325	1.4352	1.1052	2.2528	2.2367	2.2659	2.2549	1.9221
C2	1.5189		1.5206	2.5125	2.2376	1.0924	1.0927	2.2592	2.2390	3.2729
C3	1.5325	1.5206		2.5804	2.2445	2.2613	2.2400	1.0924	1.0924	2.9124
O4	1.4352	2.5125	2.5804		2.1627	3.4077	2.6732	3.4914	2.7827	1.0207
H5	1.1052	2.2376	2.2445	2.1627		2.5247	3.1307	2.5315	3.1415	2.3591
H6	2.2528	1.0924	2.2613	3.4077	2.5247		1.8388	2.5750	3.1387	4.1401
H7	2.2367	1.0927	2.2400	2.6732	3.1307	1.8388		3.1396	2.5133	3.5803
H8	2.2659	2.2592	1.0924	3.4914	2.5315	2.5750	3.1396		1.8397	3.6542
H9	2.2549	2.2390	1.0924	2.7827	3.1415	3.1387	2.5133	1.8397		3.0275
H10	1.9221	3.2729	2.9124	1.0207	2.3591	4.1401	3.5803	3.6542	3.0275

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.554	C1	C2	H6	118.330
C1	C2	H7	116.899	C1	C3	C2	59.670
C1	C3	H8	118.404	C1	C3	H9	117.436
C1	O4	H10	101.670	C2	C1	C3	59.776
C2	C1	O4	116.503	C2	C1	H5	116.122
C2	C3	H8	118.762	C2	C3	H9	116.991
C3	C1	O4	120.762	C3	C1	H5	115.682
C3	C2	H6	118.950	C3	C2	H7	117.050
O4	C1	H5	116.105	H6	C2	H7	114.601
H8	C3	H9	114.713

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: PBE1PBE/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	-0.008
2	C	-0.178
3	C	-0.186
4	O	-0.242
5	H	0.076
6	H	0.088
7	H	0.095
8	H	0.085
9	H	0.089
10	H	0.181

	x	y	z	Total
	0.187	1.052	0.738	1.299
CHELPG
AIM
ESP

	x	y	z
x	3.136	-0.280	0.085
y	-0.280	2.574	0.087
z	0.085	0.087	2.351

<r²>	74.604
(<r²>)^1/2	8.637

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: PBE1PBE/STO-3G

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)