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	hartrees
Energy at 0K	-206.058768
Energy at 298.15K	-206.062192
HF Energy	-205.604242
Nuclear repulsion energy	99.773675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3456	3383
2	A	3108	3042
3	A	3017	2953
4	A	2153	2108
5	A	1565	1532
6	A	1422	1392
7	A	1402	1373
8	A	1265	1238
9	A	1010	988
10	A	966	946
11	A	860	841
12	A	574	562
13	A	438	428
14	A	341	334
15	A	221	216

Atom	x (Å)	y (Å)	z (Å)
C1	-0.566	0.617	0.037
C2	0.841	0.128	0.003
O3	-1.546	-0.471	-0.116
H4	-0.715	1.198	0.962
H5	-0.739	1.280	-0.819
H6	-1.449	-1.066	0.677
N7	1.945	-0.302	-0.019

	C1	C2	O3	H4	H5	H6	N7
C1		1.4900	1.4723	1.1024	1.0961	2.0055	2.6742
C2	1.4900		2.4637	2.1183	2.1212	2.6690	1.1846
O3	1.4723	2.4637		2.1532	2.0519	0.9963	3.4960
H4	1.1024	2.1183	2.1532		1.7829	2.3963	3.2076
H5	1.0961	2.1212	2.0519	1.7829		2.8713	3.2162
H6	2.0055	2.6690	0.9963	2.3963	2.8713		3.5477
N7	2.6742	1.1846	3.4960	3.2076	3.2162	3.5477

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	177.897	C1	O3	H6	107.084
C2	C1	O3	112.542	C2	C1	H4	108.672
C2	C1	H5	109.269	O3	C1	H4	112.714
O3	C1	H5	105.107	H4	C1	H5	108.376

All results from a given calculation for HOCH₂CN (cyanomethanol)

using model chemistry: MP4=FULL/3-21G

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: MP4=FULL/3-21G

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)