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	hartrees
Energy at 0K	-207.286638
Energy at 298.15K	-207.290088
HF Energy	-206.765131
Nuclear repulsion energy	102.398298

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3919	3620	51.27
2	A	3250	3002	5.55
3	A	3165	2923	22.22
4	A	2485	2296	0.34
5	A	1587	1466	1.88
6	A	1491	1378	55.31
7	A	1453	1342	4.32
8	A	1285	1187	22.15
9	A	1172	1082	101.83
10	A	1043	963	27.12
11	A	945	873	24.93
12	A	607	561	1.84
13	A	409	377	70.85
14	A	324	299	107.40
15	A	224	207	10.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.574	0.589	0.038
C2	0.825	0.110	-0.005
O3	-1.499	-0.454	-0.114
H4	-0.717	1.144	0.967
H5	-0.734	1.274	-0.790
H6	-1.427	-1.049	0.639
N7	1.910	-0.277	-0.014

	C1	C2	O3	H4	H5	H6	N7
C1		1.4795	1.4022	1.0918	1.0864	1.9420	2.6312
C2	1.4795		2.3941	2.0961	2.0979	2.6132	1.1519
O3	1.4022	2.3941		2.0816	2.0069	0.9622	3.4153
H4	1.0918	2.0961	2.0816		1.7621	2.3285	3.1438
H5	1.0864	2.0979	2.0069	1.7621		2.8139	3.1619
H6	1.9420	2.6132	0.9622	2.3285	2.8139		3.4867
N7	2.6312	1.1519	3.4153	3.1438	3.1619	3.4867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.560	C1	O3	H6	109.016
C2	C1	O3	112.334	C2	C1	H4	108.269
C2	C1	H5	108.723	O3	C1	H4	112.565
O3	C1	H5	106.812	H4	C1	H5	107.988

All results from a given calculation for HOCH₂CN (cyanomethanol)

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)