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	hartrees
Energy at 0K	-207.373615
Energy at 298.15K	-207.376967
HF Energy	-206.762002
Nuclear repulsion energy	101.530286

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3761	3582	32.89
2	A	3155	3004	6.40
3	A	3068	2922	24.52
4	A	2343	2231	2.18
5	A	1544	1471	1.71
6	A	1450	1381	51.75
7	A	1411	1344	1.95
8	A	1248	1188	20.70
9	A	1115	1062	90.47
10	A	1011	963	25.90
11	A	915	871	22.11
12	A	576	549	2.85
13	A	395	376	90.52
14	A	308	293	78.13
15	A	210	200	8.26

Atom	x (Å)	y (Å)	z (Å)
C1	-0.579	0.595	0.038
C2	0.827	0.116	-0.006
O3	-1.509	-0.461	-0.115
H4	-0.726	1.155	0.973
H5	-0.746	1.281	-0.797
H6	-1.427	-1.051	0.653
N7	1.926	-0.280	-0.014

	C1	C2	O3	H4	H5	H6	N7
C1		1.4858	1.4155	1.0996	1.0939	1.9511	2.6533
C2	1.4858		2.4089	2.1093	2.1115	2.6222	1.1678
O3	1.4155	2.4089		2.0996	2.0200	0.9723	3.4411
H4	1.0996	2.1093	2.0996		1.7750	2.3369	3.1722
H5	1.0939	2.1115	2.0200	1.7750		2.8292	3.1920
H6	1.9511	2.6222	0.9723	2.3369	2.8292		3.5040
N7	2.6533	1.1678	3.4411	3.1722	3.1920	3.5040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.342	C1	O3	H6	108.155
C2	C1	O3	112.233	C2	C1	H4	108.418
C2	C1	H5	108.922	O3	C1	H4	112.581
O3	C1	H5	106.511	H4	C1	H5	108.033

All results from a given calculation for HOCH₂CN (cyanomethanol)

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

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)