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	hartrees
Energy at 0K	-207.613743
Energy at 298.15K	-207.617107
HF Energy	-206.856475
Nuclear repulsion energy	102.285024

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3891	3891	49.85
2	A	3154	3154	3.15
3	A	3079	3079	19.49
4	A	2358	2358	1.39
5	A	1518	1518	2.50
6	A	1446	1446	46.46
7	A	1403	1403	2.49
8	A	1251	1251	15.82
9	A	1120	1120	97.36
10	A	1008	1008	21.30
11	A	911	911	17.75
12	A	587	587	1.52
13	A	379	379	38.25
14	A	302	302	102.45
15	A	217	217	12.63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.573	0.590	0.038
C2	0.825	0.110	-0.006
O3	-1.508	-0.451	-0.110
H4	-0.711	1.145	0.968
H5	-0.729	1.275	-0.791
H6	-1.396	-1.069	0.614
N7	1.912	-0.277	-0.015

	C1	C2	O3	H4	H5	H6	N7
C1		1.4793	1.4063	1.0915	1.0868	1.9387	2.6331
C2	1.4793		2.4014	2.0929	2.0953	2.5899	1.1540
O3	1.4063	2.4014		2.0838	2.0121	0.9579	3.4258
H4	1.0915	2.0929	2.0838		1.7637	2.3437	3.1417
H5	1.0868	2.0953	2.0121	1.7637		2.8126	3.1604
H6	1.9387	2.5899	0.9579	2.3437	2.8126		3.4600
N7	2.6331	1.1540	3.4258	3.1417	3.1604	3.4600

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.610	C1	O3	H6	108.686
C2	C1	O3	112.622	C2	C1	H4	108.046
C2	C1	H5	108.509	O3	C1	H4	112.464
O3	C1	H5	106.920	H4	C1	H5	108.125

All results from a given calculation for HOCH₂CN (cyanomethanol)

using model chemistry: CCSD/Def2TZVPP

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/Def2TZVPP

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)