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	hartrees
Energy at 0K	-207.415483
Energy at 298.15K	-207.418803
HF Energy	-206.779747
Nuclear repulsion energy	101.548025

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3888	3675	42.48
2	A	3202	3027	4.27
3	A	3116	2946	22.60
4	A	2332	2205	1.90
5	A	1543	1459	1.44
6	A	1443	1364	48.69
7	A	1394	1318	2.61
8	A	1235	1168	18.44
9	A	1105	1045	100.55
10	A	1007	952	27.27
11	A	910	860	22.43
12	A	568	537	3.87
13	A	379	358	89.97
14	A	298	281	82.70
15	A	204	193	8.76

Atom	x (Å)	y (Å)	z (Å)
C1	-0.576	0.595	0.038
C2	0.827	0.109	-0.005
O3	-1.516	-0.455	-0.112
H4	-0.719	1.148	0.970
H5	-0.739	1.275	-0.795
H6	-1.423	-1.071	0.625
N7	1.929	-0.278	-0.015

	C1	C2	O3	H4	H5	H6	N7
C1		1.4854	1.4172	1.0930	1.0880	1.9587	2.6538
C2	1.4854		2.4122	2.1023	2.1064	2.6171	1.1685
O3	1.4172	2.4122		2.0918	2.0160	0.9646	3.4514
H4	1.0930	2.1023	2.0918		1.7703	2.3534	3.1650
H5	1.0880	2.1064	2.0160	1.7703		2.8263	3.1846
H6	1.9587	2.6171	0.9646	2.3534	2.8263		3.5036
N7	2.6538	1.1685	3.4514	3.1650	3.1846	3.5036

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.828	C1	O3	H6	109.159
C2	C1	O3	112.388	C2	C1	H4	108.273
C2	C1	H5	108.893	O3	C1	H4	112.232
O3	C1	H5	106.420	H4	C1	H5	108.518

All results from a given calculation for HOCH₂CN (cyanomethanol)

using model chemistry: QCISD/6-31+G**

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/6-31+G**

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)