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	hartrees
Energy at 0K	-207.664698
Energy at 298.15K	-207.668096
HF Energy	-206.848105
Nuclear repulsion energy	102.615422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3906	3703	49.45
2	A	3152	2988	3.58
3	A	3087	2927	19.92
4	A	2377	2254	1.08
5	A	1529	1450	2.70
6	A	1449	1374	45.51
7	A	1412	1338	2.90
8	A	1258	1193	16.04
9	A	1131	1072	95.97
10	A	1009	957	20.94
11	A	919	872	17.34
12	A	592	561	1.47
13	A	386	366	29.71
14	A	304	288	108.94
15	A	222	211	12.36

Atom	x (Å)	y (Å)	z (Å)
C1	-0.570	0.587	0.038
C2	0.821	0.108	-0.005
O3	-1.504	-0.448	-0.110
H4	-0.706	1.144	0.962
H5	-0.721	1.270	-0.789
H6	-1.399	-1.062	0.617
N7	1.907	-0.276	-0.015

	C1	C2	O3	H4	H5	H6	N7
C1		1.4720	1.4020	1.0881	1.0835	1.9338	2.6229
C2	1.4720		2.3929	2.0841	2.0846	2.5852	1.1511
O3	1.4020	2.3929		2.0794	2.0061	0.9571	3.4160
H4	1.0881	2.0841	2.0794		1.7563	2.3379	3.1303
H5	1.0835	2.0846	2.0061	1.7563		2.8056	3.1454
H6	1.9338	2.5852	0.9571	2.3379	2.8056		3.4560
N7	2.6229	1.1511	3.4160	3.1303	3.1454	3.4560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.756	C1	O3	H6	108.645
C2	C1	O3	112.711	C2	C1	H4	108.056
C2	C1	H5	108.362	O3	C1	H4	112.643
O3	C1	H5	106.938	H4	C1	H5	107.951

All results from a given calculation for HOCH₂CN (cyanomethanol)

using model chemistry: CCSD=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: CCSD=FULL/cc-pVTZ

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)