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	hartrees
Energy at 0K	-207.476082
Energy at 298.15K	-207.479508
HF Energy	-206.823155
Nuclear repulsion energy	102.101088

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3932	3755	41.43
2	A	3159	3017	6.05
3	A	3077	2939	25.63
4	A	2367	2261	2.79
5	A	1527	1458	2.09
6	A	1460	1395	52.30
7	A	1416	1352	2.05
8	A	1255	1198	15.91
9	A	1136	1085	94.28
10	A	1016	970	18.06
11	A	914	873	21.05
12	A	590	564	3.24
13	A	403	385	83.13
14	A	321	306	69.43
15	A	219	209	9.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.579	0.590	0.037
C2	0.826	0.114	-0.006
O3	-1.507	-0.456	-0.110
H4	-0.718	1.149	0.971
H5	-0.736	1.277	-0.797
H6	-1.380	-1.061	0.622
N7	1.915	-0.277	-0.015

	C1	C2	O3	H4	H5	H6	N7
C1		1.4844	1.4065	1.0974	1.0919	1.9256	2.6413
C2	1.4844		2.4046	2.1002	2.1024	2.5773	1.1571
O3	1.4065	2.4046		2.0907	2.0172	0.9577	3.4286
H4	1.0974	2.1002	2.0907		1.7727	2.3335	3.1531
H5	1.0919	2.1024	2.0172	1.7727		2.8090	3.1712
H6	1.9256	2.5773	0.9577	2.3335	2.8090		3.4468
N7	2.6413	1.1571	3.4286	3.1531	3.1712	3.4468

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.421	C1	O3	H6	107.557
C2	C1	O3	112.539	C2	C1	H4	107.935
C2	C1	H5	108.420	O3	C1	H4	112.643
O3	C1	H5	107.013	H4	C1	H5	108.132

All results from a given calculation for HOCH₂CN (cyanomethanol)

using model chemistry: CCD/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: CCD/6-311G**

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)