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	hartrees
Energy at 0K	-207.399150
Energy at 298.15K	-207.402518
HF Energy	-206.772560
Nuclear repulsion energy	101.737558

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3903	3640	33.26
2	A	3199	2983	7.52
3	A	3113	2903	26.51
4	A	2359	2200	2.87
5	A	1552	1447	0.80
6	A	1453	1355	52.45
7	A	1419	1323	2.89
8	A	1252	1167	19.31
9	A	1123	1047	90.99
10	A	1014	946	26.71
11	A	917	855	22.15
12	A	578	539	3.05
13	A	392	366	82.96
14	A	309	288	78.84
15	A	211	197	8.29

Atom	x (Å)	y (Å)	z (Å)
C1	-0.579	0.593	0.037
C2	0.827	0.115	-0.006
O3	-1.508	-0.460	-0.114
H4	-0.722	1.151	0.967
H5	-0.741	1.277	-0.794
H6	-1.426	-1.044	0.647
N7	1.924	-0.280	-0.014

	C1	C2	O3	H4	H5	H6	N7
C1		1.4850	1.4124	1.0935	1.0883	1.9421	2.6512
C2	1.4850		2.4068	2.1014	2.1042	2.6165	1.1664
O3	1.4124	2.4068		2.0933	2.0160	0.9633	3.4382
H4	1.0935	2.1014	2.0933		1.7655	2.3279	3.1636
H5	1.0883	2.1042	2.0160	1.7655		2.8164	3.1833
H6	1.9421	2.6165	0.9633	2.3279	2.8164		3.4995
N7	2.6512	1.1664	3.4382	3.1636	3.1833	3.4995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.393	C1	O3	H6	108.179
C2	C1	O3	112.309	C2	C1	H4	108.203
C2	C1	H5	108.732	O3	C1	H4	112.678
O3	C1	H5	106.732	H4	C1	H5	108.037

All results from a given calculation for HOCH₂CN (cyanomethanol)

using model chemistry: CCSD/6-31G**

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/6-31G**

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)