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	hartrees
Energy at 0K	-207.658678
Energy at 298.15K	-207.662093
HF Energy	-206.848856
Nuclear repulsion energy	102.859486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3948	3682	54.75
2	A	3174	2960	2.88
3	A	3110	2900	18.10
4	A	2450	2285	0.29
5	A	1532	1429	3.20
6	A	1454	1356	47.02
7	A	1417	1322	2.92
8	A	1263	1178	15.73
9	A	1144	1067	97.27
10	A	1012	944	20.19
11	A	928	866	17.53
12	A	600	559	1.43
13	A	390	363	26.39
14	A	305	284	113.14
15	A	224	209	13.63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.568	0.585	0.038
C2	0.821	0.106	-0.005
O3	-1.502	-0.447	-0.110
H4	-0.702	1.143	0.961
H5	-0.717	1.269	-0.788
H6	-1.397	-1.061	0.613
N7	1.901	-0.275	-0.015

	C1	C2	O3	H4	H5	H6	N7
C1		1.4702	1.3995	1.0866	1.0821	1.9312	2.6153
C2	1.4702		2.3903	2.0805	2.0811	2.5817	1.1453
O3	1.3995	2.3903		2.0764	2.0043	0.9547	3.4085
H4	1.0866	2.0805	2.0764		1.7530	2.3372	3.1213
H5	1.0821	2.0811	2.0043	1.7530		2.8024	3.1362
H6	1.9312	2.5817	0.9547	2.3372	2.8024		3.4480
N7	2.6153	1.1453	3.4085	3.1213	3.1362	3.4480

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.780	C1	O3	H6	108.759
C2	C1	O3	112.784	C2	C1	H4	107.985
C2	C1	H5	108.292	O3	C1	H4	112.676
O3	C1	H5	107.049	H4	C1	H5	107.865

All results from a given calculation for HOCH₂CN (cyanomethanol)

using model chemistry: MP3=FULL/cc-pVTZ

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: MP3=FULL/cc-pVTZ

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)