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	hartrees
Energy at 0K	-207.407331
Energy at 298.15K	-207.410668
HF Energy	-206.780505
Nuclear repulsion energy	101.726429

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3915	3689	45.88
2	A	3211	3026	4.08
3	A	3127	2947	21.60
4	A	2370	2233	2.17
5	A	1548	1458	1.57
6	A	1449	1366	48.93
7	A	1401	1320	3.25
8	A	1242	1170	18.03
9	A	1120	1055	101.03
10	A	1011	953	26.40
11	A	919	866	22.81
12	A	574	541	3.64
13	A	380	358	87.60
14	A	300	282	86.15
15	A	207	195	9.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.575	0.594	0.038
C2	0.827	0.109	-0.004
O3	-1.514	-0.454	-0.112
H4	-0.718	1.147	0.969
H5	-0.737	1.275	-0.795
H6	-1.423	-1.069	0.623
N7	1.925	-0.278	-0.015

	C1	C2	O3	H4	H5	H6	N7
C1		1.4837	1.4147	1.0925	1.0876	1.9566	2.6484
C2	1.4837		2.4093	2.1006	2.1042	2.6155	1.1647
O3	1.4147	2.4093		2.0891	2.0142	0.9633	3.4449
H4	1.0925	2.1006	2.0891		1.7685	2.3515	3.1602
H5	1.0876	2.1042	2.0142	1.7685		2.8242	3.1787
H6	1.9566	2.6155	0.9633	2.3515	2.8242		3.4990
N7	2.6484	1.1647	3.4449	3.1602	3.1787	3.4990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.842	C1	O3	H6	109.259
C2	C1	O3	112.430	C2	C1	H4	108.293
C2	C1	H5	108.864	O3	C1	H4	112.226
O3	C1	H5	106.477	H4	C1	H5	108.430

All results from a given calculation for HOCH₂CN (cyanomethanol)

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)