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	hartrees
Energy at 0K	-192.031787
Energy at 298.15K	-192.038706
HF Energy	-192.031787
Nuclear repulsion energy	122.881711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3449	3328	0.39
2	A	3271	3157	9.99
3	A	3254	3139	2.08
4	A	3175	3063	4.37
5	A	3165	3054	9.66
6	A	3126	3016	39.91
7	A	1517	1464	7.15
8	A	1494	1442	5.73
9	A	1437	1387	2.59
10	A	1305	1259	59.82
11	A	1211	1168	0.32
12	A	1180	1139	5.91
13	A	1177	1136	60.33
14	A	1150	1110	0.39
15	A	1094	1056	4.86
16	A	1064	1027	32.40
17	A	958	924	12.76
18	A	904	873	21.39
19	A	832	803	9.34
20	A	807	779	3.58
21	A	756	729	5.22
22	A	392	378	25.61
23	A	372	359	14.45
24	A	338	326	116.57

Atom	x (Å)	y (Å)	z (Å)
C1	-0.232	-0.001	0.496
C2	0.908	-0.758	-0.135
C3	0.908	0.776	-0.149
O4	-1.480	-0.111	-0.200
H5	-0.282	0.008	1.583
H6	1.609	-1.275	0.508
H7	0.665	-1.244	-1.071
H8	1.605	1.299	0.495
H9	0.690	1.245	-1.100
H10	-1.960	0.755	-0.090

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5070	1.5231	1.4329	1.0882	2.2391	2.1925	2.2503	2.2251	1.9747
C2	1.5070		1.5336	2.4746	2.2260	1.0826	1.0826	2.2610	2.2339	3.2428
C3	1.5231	1.5336		2.5479	2.2376	2.2644	2.2337	1.0832	1.0831	2.8690
O4	1.4329	2.4746	2.5479		2.1511	3.3758	2.5774	3.4620	2.7124	0.9963
H5	1.0882	2.2260	2.2376	2.1511		2.5258	3.0839	2.5322	3.1107	2.4839
H6	2.2391	1.0826	2.2644	3.3758	2.5258		1.8400	2.5737	3.1273	4.1491
H7	2.1925	1.0826	2.2337	2.5774	3.0839	1.8400		3.1308	2.4891	3.4424
H8	2.2503	2.2610	1.0832	3.4620	2.5322	2.5737	3.1308		1.8398	3.6532
H9	2.2251	2.2339	1.0831	2.7124	3.1107	3.1273	2.4891	1.8398		2.8783
H10	1.9747	3.2428	2.8690	0.9963	2.4839	4.1491	3.4424	3.6532	2.8783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.111	C1	C2	H6	118.765
C1	C2	H7	114.703	C1	C3	C2	59.078
C1	C3	H8	118.428	C1	C3	H9	116.230
C1	O4	H10	107.399	C2	C1	C3	60.811
C2	C1	O4	114.627	C2	C1	H5	117.211
C2	C3	H8	118.525	C2	C3	H9	116.168
C3	C1	O4	119.043	C3	C1	H5	116.962
C3	C2	H6	118.872	C3	C2	H7	116.185
O4	C1	H5	116.467	H6	C2	H7	116.380
H8	C3	H9	116.274

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B3LYP/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	0.001
2	C	-0.395
3	C	-0.419
4	O	-0.540
5	H	0.185
6	H	0.200
7	H	0.225
8	H	0.196
9	H	0.211
10	H	0.336

	x	y	z	Total
	0.348	1.451	0.703	1.650
CHELPG
AIM
ESP

	x	y	z
x	4.986	-0.295	0.203
y	-0.295	4.609	0.024
z	0.203	0.024	4.185

<r²>	74.438
(<r²>)^1/2	8.628

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)