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	hartrees
Energy at 0K	-191.826314
Energy at 298.15K	-191.833273
HF Energy	-191.826314
Nuclear repulsion energy	123.415035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3523	3394	0.96
2	A	3300	3179	6.13
3	A	3281	3161	1.77
4	A	3198	3081	3.26
5	A	3188	3071	7.67
6	A	3153	3037	35.70
7	A	1518	1462	9.53
8	A	1488	1433	8.47
9	A	1447	1393	1.96
10	A	1310	1262	60.37
11	A	1214	1169	0.51
12	A	1202	1158	65.02
13	A	1192	1148	6.73
14	A	1156	1114	0.49
15	A	1100	1059	6.40
16	A	1071	1032	40.81
17	A	985	949	10.70
18	A	926	892	24.34
19	A	844	813	9.26
20	A	818	788	4.34
21	A	773	745	4.58
22	A	397	382	25.27
23	A	375	361	13.39
24	A	338	326	127.23

Atom	x (Å)	y (Å)	z (Å)
C1	-0.231	-0.003	0.495
C2	0.905	-0.753	-0.136
C3	0.902	0.772	-0.148
O4	-1.471	-0.111	-0.198
H5	-0.279	0.004	1.582
H6	1.608	-1.270	0.505
H7	0.658	-1.237	-1.073
H8	1.599	1.296	0.496
H9	0.680	1.241	-1.099
H10	-1.949	0.751	-0.092

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5003	1.5155	1.4244	1.0884	2.2332	2.1841	2.2437	2.2174	1.9659
C2	1.5003		1.5251	2.4617	2.2192	1.0828	1.0829	2.2533	2.2255	3.2263
C3	1.5155	1.5251		2.5324	2.2305	2.2570	2.2254	1.0834	1.0835	2.8517
O4	1.4244	2.4617	2.5324		2.1457	3.3639	2.5620	3.4473	2.6957	0.9916
H5	1.0884	2.2192	2.2305	2.1457		2.5182	3.0764	2.5244	3.1043	2.4803
H6	2.2332	1.0828	2.2570	3.3639	2.5182		1.8419	2.5656	3.1204	4.1344
H7	2.1841	1.0829	2.2254	2.5620	3.0764	1.8419		3.1242	2.4782	3.4220
H8	2.2437	2.2533	1.0834	3.4473	2.5244	2.5656	3.1242		1.8413	3.6374
H9	2.2174	2.2255	1.0835	2.6957	3.1043	3.1204	2.4782	1.8413		2.8578
H10	1.9659	3.2263	2.8517	0.9916	2.4803	4.1344	3.4220	3.6374	2.8578

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.117	C1	C2	H6	118.779
C1	C2	H7	114.487	C1	C3	C2	59.128
C1	C3	H8	118.436	C1	C3	H9	116.126
C1	O4	H10	107.559	C2	C1	C3	60.755
C2	C1	O4	114.612	C2	C1	H5	117.137
C2	C3	H8	118.518	C2	C3	H9	116.081
C3	C1	O4	118.912	C3	C1	H5	116.930
C3	C2	H6	118.896	C3	C2	H7	116.108
O4	C1	H5	116.643	H6	C2	H7	116.527
H8	C3	H9	116.370

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: HSEh1PBE/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	-0.027
2	C	-0.449
3	C	-0.474
4	O	-0.558
5	H	0.212
6	H	0.228
7	H	0.254
8	H	0.224
9	H	0.239
10	H	0.351

	x	y	z	Total
	0.349	1.491	0.714	1.690
CHELPG
AIM
ESP

	x	y	z
x	4.917	-0.280	0.194
y	-0.280	4.574	0.022
z	0.194	0.022	4.160

<r²>	73.826
(<r²>)^1/2	8.592

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)