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	hartrees
Energy at 0K	-190.451305
Energy at 298.15K	-190.458120
HF Energy	-190.451305
Nuclear repulsion energy	122.002773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3777	3336	27.47
2	A	3601	3180	1.21
3	A	3595	3175	0.16
4	A	3449	3046	3.96
5	A	3439	3037	4.45
6	A	3395	2998	7.53
7	A	1668	1473	7.77
8	A	1598	1411	0.87
9	A	1584	1399	1.96
10	A	1451	1281	51.52
11	A	1326	1171	2.10
12	A	1301	1149	0.13
13	A	1269	1121	1.76
14	A	1242	1097	5.61
15	A	1223	1080	0.72
16	A	1208	1067	1.85
17	A	1085	958	1.07
18	A	1038	917	10.52
19	A	908	802	3.24
20	A	890	786	1.63
21	A	842	744	0.53
22	A	407	359	6.63
23	A	392	346	5.41
24	A	319	282	76.31

Atom	x (Å)	y (Å)	z (Å)
C1	-0.252	0.010	0.472
C2	0.927	-0.754	-0.107
C3	0.923	0.767	-0.156
O4	-1.502	-0.116	-0.224
H5	-0.313	0.049	1.576
H6	1.607	-1.259	0.583
H7	0.759	-1.282	-1.049
H8	1.600	1.316	0.503
H9	0.759	1.231	-1.132
H10	-1.983	0.739	0.058

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5194	1.5330	1.4362	1.1054	2.2534	2.2374	2.2666	2.2555	1.9231
C2	1.5194		1.5210	2.5136	2.2383	1.0926	1.0929	2.2598	2.2396	3.2743
C3	1.5330	1.5210		2.5815	2.2452	2.2619	2.2406	1.0926	1.0926	2.9139
O4	1.4362	2.5136	2.5815		2.1636	3.4090	2.6741	3.4928	2.7837	1.0212
H5	1.1054	2.2383	2.2452	2.1636		2.5256	3.1315	2.5324	3.1423	2.3599
H6	2.2534	1.0926	2.2619	3.4090	2.5256		1.8391	2.5756	3.1395	4.1416
H7	2.2374	1.0929	2.2406	2.6741	3.1315	1.8391		3.1403	2.5140	3.5817
H8	2.2666	2.2598	1.0926	3.4928	2.5324	2.5756	3.1403		1.8400	3.6559
H9	2.2555	2.2396	1.0926	2.7837	3.1423	3.1395	2.5140	1.8400		3.0290
H10	1.9231	3.2743	2.9139	1.0212	2.3599	4.1416	3.5817	3.6559	3.0290

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.556	C1	C2	H6	118.329
C1	C2	H7	116.904	C1	C3	C2	59.669
C1	C3	H8	118.407	C1	C3	H9	117.437
C1	O4	H10	101.660	C2	C1	C3	59.776
C2	C1	O4	116.494	C2	C1	H5	116.136
C2	C3	H8	118.761	C2	C3	H9	116.994
C3	C1	O4	120.756	C3	C1	H5	115.692
C3	C2	H6	118.949	C3	C2	H7	117.053
O4	C1	H5	116.099	H6	C2	H7	114.596
H8	C3	H9	114.711

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: HSEh1PBE/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	-0.007
2	C	-0.177
3	C	-0.185
4	O	-0.241
5	H	0.075
6	H	0.088
7	H	0.095
8	H	0.085
9	H	0.088
10	H	0.180

	x	y	z	Total
	0.187	1.049	0.737	1.296
CHELPG
AIM
ESP

	x	y	z
x	3.149	-0.281	0.085
y	-0.281	2.582	0.087
z	0.085	0.087	2.358

<r²>	74.657
(<r²>)^1/2	8.640

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: HSEh1PBE/STO-3G

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)