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	hartrees
Energy at 0K	-193.741614
Energy at 298.15K	-193.750575
Nuclear repulsion energy	130.017042

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3745	3576
2	A'	3140	2998
3	A'	3068	2929
4	A'	3054	2916
5	A'	2993	2858
6	A'	1576	1505
7	A'	1555	1484
8	A'	1541	1472
9	A'	1496	1428
10	A'	1460	1394
11	A'	1379	1317
12	A'	1289	1231
13	A'	1120	1069
14	A'	1096	1046
15	A'	1067	1019
16	A'	910	869
17	A'	463	442
18	A'	278	265
19	A"	3133	2992
20	A"	3110	2969
21	A"	3029	2892
22	A"	1548	1478
23	A"	1343	1282
24	A"	1293	1234
25	A"	1213	1159
26	A"	921	879
27	A"	778	743
28	A"	289	275
29	A"	238	227
30	A"	131	126

Atom	x (Å)	y (Å)	z (Å)
C1	-1.449	1.233	0.000
C2	0.000	0.739	0.000
C3	0.092	-0.779	0.000
O4	1.480	-1.127	0.000
H5	-1.492	2.330	0.000
H6	-1.989	0.877	0.888
H7	-1.989	0.877	-0.888
H8	0.536	1.116	0.882
H9	0.536	1.116	-0.882
H10	-0.420	-1.185	0.891
H11	-0.420	-1.185	-0.891
H12	1.539	-2.097	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5308	2.5340	3.7616	1.0972	1.0987	1.0987	2.1750	2.1750	2.7749	2.7749	4.4743
C2	1.5308		1.5203	2.3817	2.1806	2.1829	2.1829	1.0991	1.0991	2.1616	2.1616	3.2270
C3	2.5340	1.5203		1.4316	3.4883	2.8038	2.8038	2.1369	2.1369	1.1051	1.1051	1.9578
O4	3.7616	2.3817	1.4316		4.5584	4.1041	4.1041	2.5888	2.5888	2.1000	2.1000	0.9726
H5	1.0972	2.1806	3.4883	4.5584		1.7736	1.7736	2.5221	2.5221	3.7809	3.7809	5.3649
H6	1.0987	2.1829	2.8038	4.1041	1.7736		1.7755	2.5364	3.0931	2.5914	3.1430	4.6994
H7	1.0987	2.1829	2.8038	4.1041	1.7736	1.7755		3.0931	2.5364	3.1430	2.5914	4.6994
H8	2.1750	1.0991	2.1369	2.5888	2.5221	2.5364	3.0931		1.7649	2.4921	3.0586	3.4803
H9	2.1750	1.0991	2.1369	2.5888	2.5221	3.0931	2.5364	1.7649		3.0586	2.4921	3.4803
H10	2.7749	2.1616	1.1051	2.1000	3.7809	2.5914	3.1430	2.4921	3.0586		1.7817	2.3375
H11	2.7749	2.1616	1.1051	2.1000	3.7809	3.1430	2.5914	3.0586	2.4921	1.7817		2.3375
H12	4.4743	3.2270	1.9578	0.9726	5.3649	4.6994	4.6994	3.4803	3.4803	2.3375	2.3375

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.300	C1	C2	H8	110.516
C1	C2	H9	110.516	C2	C1	H5	111.073
C2	C1	H6	111.164	C2	C1	H7	111.164
C2	C3	O4	107.535	C2	C3	H10	109.832
C2	C3	H11	109.832	C3	C2	H8	108.251
C3	C2	H9	108.251	C3	O4	H12	107.511
O4	C3	H10	111.105	O4	C3	H11	111.105
H5	C1	H6	107.739	H5	C1	H7	107.739
H6	C1	H7	107.799	H8	C2	H9	106.813
H10	C3	H11	107.440

All results from a given calculation for C₃H₇OH (1-Propanol)

using model chemistry: MP4/6-31G*

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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All results from a given calculation for C3H7OH (1-Propanol)

using model chemistry: MP4/6-31G*

States and conformations

All results from a given calculation for C₃H₇OH (1-Propanol)