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	hartrees
Energy at 0K	-207.647751
Energy at 298.15K	-207.651058
HF Energy	-206.843843
Nuclear repulsion energy	101.670380

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3829	3711
2	A	3127	3030
3	A	3048	2954
4	A	2174	2107
5	A	1498	1452
6	A	1421	1378
7	A	1379	1337
8	A	1232	1194
9	A	1083	1050
10	A	991	960
11	A	891	863
12	A	567	550
13	A	368	357
14	A	293	284
15	A	208	201

Atom	x (Å)	y (Å)	z (Å)
C1	-0.578	0.593	0.038
C2	0.823	0.117	-0.006
O3	-1.513	-0.457	-0.110
H4	-0.718	1.153	0.968
H5	-0.738	1.275	-0.796
H6	-1.389	-1.069	0.623
N7	1.926	-0.280	-0.015

	C1	C2	O3	H4	H5	H6	N7
C1		1.4801	1.4143	1.0943	1.0894	1.9391	2.6515
C2	1.4801		2.4085	2.0970	2.0986	2.5873	1.1717
O3	1.4143	2.4085		2.0945	2.0179	0.9629	3.4448
H4	1.0943	2.0970	2.0945		1.7675	2.3460	3.1638
H5	1.0894	2.0986	2.0179	1.7675		2.8159	3.1820
H6	1.9391	2.5873	0.9629	2.3460	2.8159		3.4659
N7	2.6515	1.1717	3.4448	3.1638	3.1820	3.4659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.352	C1	O3	H6	107.803
C2	C1	O3	112.618	C2	C1	H4	108.150
C2	C1	H5	108.558	O3	C1	H4	112.590
O3	C1	H5	106.689	H4	C1	H5	108.073

All results from a given calculation for HOCH₂CN (cyanomethanol)

using model chemistry: MP4/cc-pVTZ

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

	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 HOCH2CN (cyanomethanol)

using model chemistry: MP4/cc-pVTZ

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)