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	hartrees
Energy at 0K	-207.453187
Energy at 298.15K	-207.456590
HF Energy	-206.812045
Nuclear repulsion energy	101.926735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3846	3667	24.30
2	A	3147	3001	5.84
3	A	3058	2915	26.22
4	A	2342	2233	2.74
5	A	1528	1457	3.18
6	A	1458	1390	54.83
7	A	1412	1346	1.45
8	A	1256	1198	22.91
9	A	1127	1075	94.34
10	A	1009	962	22.93
11	A	908	866	22.24
12	A	586	558	3.55
13	A	402	384	98.48
14	A	318	303	80.38
15	A	218	208	9.24

Atom	x (Å)	y (Å)	z (Å)
C1	-0.578	0.590	0.038
C2	0.828	0.113	-0.006
O3	-1.509	-0.455	-0.112
H4	-0.718	1.148	0.974
H5	-0.741	1.277	-0.795
H6	-1.415	-1.060	0.628
N7	1.920	-0.278	-0.014

	C1	C2	O3	H4	H5	H6	N7
C1		1.4858	1.4072	1.0984	1.0924	1.9418	2.6453
C2	1.4858		2.4077	2.1028	2.1074	2.6100	1.1598
O3	1.4072	2.4077		2.0909	2.0144	0.9603	3.4353
H4	1.0984	2.1028	2.0909		1.7739	2.3407	3.1572
H5	1.0924	2.1074	2.0144	1.7739		2.8183	3.1797
H6	1.9418	2.6100	0.9603	2.3407	2.8183		3.4858
N7	2.6453	1.1598	3.4353	3.1572	3.1797	3.4858

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.381	C1	O3	H6	108.737
C2	C1	O3	112.631	C2	C1	H4	107.982
C2	C1	H5	108.687	O3	C1	H4	112.546
O3	C1	H5	106.712	H4	C1	H5	108.134

All results from a given calculation for HOCH₂CN (cyanomethanol)

using model chemistry: CCSD/6-311G*

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: CCSD/6-311G*

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)