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	hartrees
Energy at 0K	-207.407586
Energy at 298.15K	-207.410977
HF Energy	-206.784780
Nuclear repulsion energy	101.526757

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3876	3708	42.78
2	A	3160	3023	7.27
3	A	3073	2940	27.99
4	A	2358	2256	2.77
5	A	1499	1435	1.39
6	A	1448	1385	53.26
7	A	1401	1340	4.35
8	A	1244	1190	14.18
9	A	1138	1089	94.60
10	A	1001	958	17.09
11	A	912	872	19.72
12	A	582	557	2.73
13	A	396	379	75.12
14	A	312	299	67.97
15	A	214	205	7.90

Atom	x (Å)	y (Å)	z (Å)
C1	-0.585	0.588	0.038
C2	0.829	0.113	-0.005
O3	-1.514	-0.458	-0.113
H4	-0.722	1.159	0.976
H5	-0.741	1.283	-0.803
H6	-1.400	-1.055	0.637
N7	1.930	-0.276	-0.015

	C1	C2	O3	H4	H5	H6	N7
C1		1.4922	1.4070	1.1071	1.1015	1.9295	2.6599
C2	1.4922		2.4143	2.1123	2.1143	2.5973	1.1679
O3	1.4070	2.4143		2.1037	2.0258	0.9654	3.4506
H4	1.1071	2.1123	2.1037		1.7834	2.3394	3.1743
H5	1.1015	2.1143	2.0258	1.7834		2.8236	3.1917
H6	1.9295	2.5973	0.9654	2.3394	2.8236		3.4818
N7	2.6599	1.1679	3.4506	3.1743	3.1917	3.4818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.549	C1	O3	H6	107.373
C2	C1	O3	112.731	C2	C1	H4	107.790
C2	C1	H5	108.266	O3	C1	H4	113.058
O3	C1	H5	107.091	H4	C1	H5	107.698

All results from a given calculation for HOCH₂CN (cyanomethanol)

using model chemistry: CCD/cc-pVDZ

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/cc-pVDZ

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)