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	hartrees
Energy at 0K	-207.404015
Energy at 298.15K	-207.407418
HF Energy	-206.774040
Nuclear repulsion energy	102.144745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3952	3952	37.77
2	A	3229	3229	6.30
3	A	3143	3143	23.75
4	A	2453	2453	0.78
5	A	1560	1560	1.18
6	A	1463	1463	52.77
7	A	1428	1428	3.36
8	A	1261	1261	19.27
9	A	1139	1139	92.16
10	A	1020	1020	25.81
11	A	932	932	22.38
12	A	591	591	2.69
13	A	398	398	72.35
14	A	315	315	91.65
15	A	216	216	9.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.575	0.592	0.037
C2	0.825	0.114	-0.005
O3	-1.504	-0.457	-0.113
H4	-0.716	1.149	0.964
H5	-0.735	1.274	-0.792
H6	-1.420	-1.045	0.641
N7	1.914	-0.279	-0.014

	C1	C2	O3	H4	H5	H6	N7
C1		1.4801	1.4086	1.0907	1.0856	1.9383	2.6379
C2	1.4801		2.4003	2.0946	2.0970	2.6082	1.1581
O3	1.4086	2.4003		2.0878	2.0120	0.9602	3.4242
H4	1.0907	2.0946	2.0878		1.7603	2.3264	3.1492
H5	1.0856	2.0970	2.0120	1.7603		2.8109	3.1678
H6	1.9383	2.6082	0.9602	2.3264	2.8109		3.4836
N7	2.6379	1.1581	3.4242	3.1492	3.1678	3.4836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.417	C1	O3	H6	108.332
C2	C1	O3	112.365	C2	C1	H4	108.175
C2	C1	H5	108.663	O3	C1	H4	112.684
O3	C1	H5	106.827	H4	C1	H5	107.971

All results from a given calculation for HOCH₂CN (cyanomethanol)

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G**

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)