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	hartrees
Energy at 0K	-207.484325
Energy at 298.15K	-207.487736
HF Energy	-206.822421
Nuclear repulsion energy	101.930269

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3906	3727	38.97
2	A	3150	3005	6.40
3	A	3066	2925	27.15
4	A	2329	2222	2.42
5	A	1522	1453	1.96
6	A	1455	1388	51.42
7	A	1409	1344	2.12
8	A	1249	1191	16.48
9	A	1123	1072	94.04
10	A	1012	966	18.46
11	A	905	864	20.77
12	A	584	557	3.55
13	A	402	384	85.56
14	A	319	305	65.78
15	A	217	207	8.74

Atom	x (Å)	y (Å)	z (Å)
C1	-0.581	0.591	0.037
C2	0.827	0.115	-0.006
O3	-1.509	-0.458	-0.110
H4	-0.719	1.151	0.972
H5	-0.739	1.277	-0.798
H6	-1.380	-1.060	0.624
N7	1.919	-0.278	-0.015

	C1	C2	O3	H4	H5	H6	N7
C1		1.4862	1.4086	1.0980	1.0923	1.9264	2.6469
C2	1.4862		2.4072	2.1016	2.1043	2.5784	1.1609
O3	1.4086	2.4072		2.0936	2.0188	0.9590	3.4341
H4	1.0980	2.1016	2.0936		1.7743	2.3338	3.1579
H5	1.0923	2.1043	2.0188	1.7743		2.8103	3.1772
H6	1.9264	2.5784	0.9590	2.3338	2.8103		3.4502
N7	2.6469	1.1609	3.4341	3.1579	3.1772	3.4502

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.354	C1	O3	H6	107.382
C2	C1	O3	112.491	C2	C1	H4	107.890
C2	C1	H5	108.422	O3	C1	H4	112.699
O3	C1	H5	106.977	H4	C1	H5	108.208

All results from a given calculation for HOCH₂CN (cyanomethanol)

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

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)