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	hartrees
Energy at 0K	-192.165287
Energy at 298.15K	-192.172159
HF Energy	-192.165287
Nuclear repulsion energy	125.193870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3719	3678	29.49
2	A	3169	3135	3.23
3	A	3154	3120	1.51
4	A	3075	3042	3.18
5	A	3067	3033	7.33
6	A	3022	2989	30.26
7	A	1451	1435	27.55
8	A	1371	1357	6.69
9	A	1358	1343	3.29
10	A	1247	1233	59.64
11	A	1214	1201	70.73
12	A	1175	1162	11.72
13	A	1144	1132	0.23
14	A	1076	1065	1.40
15	A	1017	1006	19.93
16	A	1011	1000	7.88
17	A	968	957	14.87
18	A	926	916	22.78
19	A	830	821	10.74
20	A	794	786	6.56
21	A	738	730	2.24
22	A	401	396	16.01
23	A	399	395	8.70
24	A	297	294	106.73

Atom	x (Å)	y (Å)	z (Å)
C1	-0.235	-0.013	0.479
C2	0.899	-0.733	-0.137
C3	0.877	0.765	-0.137
O4	-1.441	-0.112	-0.194
H5	-0.302	-0.021	1.574
H6	1.606	-1.254	0.508
H7	0.676	-1.229	-1.082
H8	1.567	1.306	0.511
H9	0.651	1.251	-1.087
H10	-1.911	0.734	-0.105

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4776	1.4902	1.3850	1.0972	2.2199	2.1782	2.2332	2.1988	1.9259
C2	1.4776		1.4985	2.4219	2.2087	1.0894	1.0900	2.2413	2.2137	3.1700
C3	1.4902	1.4985		2.4789	2.2216	2.2418	2.2155	1.0901	1.0904	2.7880
O4	1.3850	2.4219	2.4789		2.1054	3.3288	2.5533	3.3994	2.6518	0.9716
H5	1.0972	2.2087	2.2216	2.1054		2.5096	3.0777	2.5266	3.0994	2.4451
H6	2.2199	1.0894	2.2418	3.3288	2.5096		1.8417	2.5605	3.1194	4.0860
H7	2.1782	1.0900	2.2155	2.5533	3.0777	1.8417		3.1230	2.4798	3.3912
H8	2.2332	2.2413	1.0901	3.3994	2.5266	2.5605	3.1230		1.8423	3.5781
H9	2.1988	2.2137	1.0904	2.6518	3.0994	3.1194	2.4798	1.8423		2.7919
H10	1.9259	3.1700	2.7880	0.9716	2.4451	4.0860	3.3912	3.5781	2.7919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.090	C1	C2	H6	118.947
C1	C2	H7	115.230	C1	C3	C2	59.258
C1	C3	H8	119.056	C1	C3	H9	116.006
C1	O4	H10	108.341	C2	C1	C3	60.652
C2	C1	O4	115.530	C2	C1	H5	117.380
C2	C3	H8	119.106	C2	C3	H9	116.653
C3	C1	O4	119.075	C3	C1	H5	117.513
C3	C2	H6	119.213	C3	C2	H7	116.835
O4	C1	H5	115.540	H6	C2	H7	115.355
H8	C3	H9	115.318

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: LSDA/cc-pVTZ

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	0.014
2	C	-0.246
3	C	-0.283
4	O	-0.283
5	H	0.095
6	H	0.125
7	H	0.128
8	H	0.117
9	H	0.128
10	H	0.204

	x	y	z	Total
	0.247	1.278	0.607	1.436
CHELPG
AIM
ESP

	x	y	z
x	6.231	-0.179	0.030
y	-0.179	5.910	-0.004
z	0.030	-0.004	5.460

<r²>	72.455
(<r²>)^1/2	8.512

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: LSDA/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)