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	hartrees
Energy at 0K	-207.413389
Energy at 298.15K	-207.416713
HF Energy	-206.780016
Nuclear repulsion energy	101.608425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3893	3635	42.83
2	A	3204	2992	4.15
3	A	3119	2913	22.11
4	A	2347	2192	2.31
5	A	1544	1442	1.48
6	A	1445	1349	48.80
7	A	1396	1304	2.72
8	A	1238	1156	18.05
9	A	1110	1036	99.93
10	A	1008	941	26.99
11	A	913	852	22.55
12	A	569	532	3.86
13	A	379	354	88.98
14	A	298	278	83.83
15	A	205	192	8.79

Atom	x (Å)	y (Å)	z (Å)
C1	-0.576	0.595	0.038
C2	0.827	0.109	-0.005
O3	-1.515	-0.454	-0.112
H4	-0.718	1.148	0.970
H5	-0.738	1.275	-0.795
H6	-1.422	-1.071	0.624
N7	1.928	-0.278	-0.015

	C1	C2	O3	H4	H5	H6	N7
C1		1.4850	1.4164	1.0928	1.0879	1.9579	2.6520
C2	1.4850		2.4112	2.1016	2.1056	2.6157	1.1672
O3	1.4164	2.4112		2.0910	2.0155	0.9643	3.4492
H4	1.0928	2.1016	2.0910		1.7697	2.3532	3.1631
H5	1.0879	2.1056	2.0155	1.7697		2.8257	3.1824
H6	1.9579	2.6157	0.9643	2.3532	2.8257		3.5010
N7	2.6520	1.1672	3.4492	3.1631	3.1824	3.5010

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.829	C1	O3	H6	109.173
C2	C1	O3	112.397	C2	C1	H4	108.266
C2	C1	H5	108.872	O3	C1	H4	112.243
O3	C1	H5	106.450	H4	C1	H5	108.495

All results from a given calculation for HOCH₂CN (cyanomethanol)

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

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)