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	hartrees
Energy at 0K	-207.496588
Energy at 298.15K	-207.499860
HF Energy	-206.796117
Nuclear repulsion energy	100.705778

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3791	3697
2	A	3130	3053
3	A	3047	2972
4	A	2153	2100
5	A	1472	1436
6	A	1403	1368
7	A	1351	1317
8	A	1210	1180
9	A	1062	1035
10	A	976	952
11	A	886	864
12	A	557	543
13	A	362	353
14	A	289	282
15	A	204	199

Atom	x (Å)	y (Å)	z (Å)
C1	-0.582	0.598	0.038
C2	0.830	0.117	-0.006
O3	-1.528	-0.460	-0.111
H4	-0.728	1.159	0.980
H5	-0.749	1.285	-0.806
H6	-1.411	-1.078	0.626
N7	1.946	-0.282	-0.015

	C1	C2	O3	H4	H5	H6	N7
C1		1.4921	1.4268	1.1058	1.1010	1.9592	2.6775
C2	1.4921		2.4295	2.1173	2.1204	2.6167	1.1856
O3	1.4268	2.4295		2.1101	2.0331	0.9685	3.4798
H4	1.1058	2.1173	2.1101		1.7902	2.3653	3.1962
H5	1.1010	2.1204	2.0331	1.7902		2.8403	3.2162
H6	1.9592	2.6167	0.9685	2.3653	2.8403		3.5091
N7	2.6775	1.1856	3.4798	3.1962	3.2162	3.5091

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.479	C1	O3	H6	108.237
C2	C1	O3	112.653	C2	C1	H4	108.256
C2	C1	H5	108.770	O3	C1	H4	112.234
O3	C1	H5	106.366	H4	C1	H5	108.428

All results from a given calculation for HOCH₂CN (cyanomethanol)

using model chemistry: MP4=FULL/aug-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: MP4=FULL/aug-cc-pVDZ

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)