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	hartrees
Energy at 0K	-207.597889
Energy at 298.15K	-207.601260
HF Energy	-206.847063
Nuclear repulsion energy	102.554520

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3950	3950	57.99
2	A	3171	3171	2.06
3	A	3097	3097	17.04
4	A	2426	2426	0.25
5	A	1524	1524	3.49
6	A	1448	1448	46.36
7	A	1404	1404	3.30
8	A	1251	1251	17.24
9	A	1137	1137	101.51
10	A	1010	1010	20.68
11	A	917	917	16.95
12	A	592	592	1.11
13	A	378	378	31.60
14	A	298	298	110.83
15	A	218	218	14.77

Atom	x (Å)	y (Å)	z (Å)
C1	-0.572	0.588	0.038
C2	0.825	0.108	-0.005
O3	-1.504	-0.449	-0.110
H4	-0.710	1.142	0.968
H5	-0.726	1.274	-0.790
H6	-1.403	-1.069	0.609
N7	1.907	-0.276	-0.015

	C1	C2	O3	H4	H5	H6	N7
C1		1.4784	1.4012	1.0913	1.0867	1.9398	2.6259
C2	1.4784		2.3970	2.0915	2.0937	2.5944	1.1477
O3	1.4012	2.3970		2.0790	2.0089	0.9554	3.4167
H4	1.0913	2.0915	2.0790		1.7629	2.3455	3.1344
H5	1.0867	2.0937	2.0089	1.7629		2.8125	3.1523
H6	1.9398	2.5944	0.9554	2.3455	2.8125		3.4612
N7	2.6259	1.1477	3.4167	3.1344	3.1523	3.4612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.666	C1	O3	H6	109.343
C2	C1	O3	112.664	C2	C1	H4	108.013
C2	C1	H5	108.451	O3	C1	H4	112.456
O3	C1	H5	107.020	H4	C1	H5	108.075

All results from a given calculation for HOCH₂CN (cyanomethanol)

using model chemistry: MP3/6-311+G(3df,2p)

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: MP3/6-311+G(3df,2p)

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)