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	hartrees
Energy at 0K	-207.457964
Energy at 298.15K	-207.461283
HF Energy	-206.799290
Nuclear repulsion energy	101.106045

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3835	3715	42.69
2	A	3137	3039	3.75
3	A	3059	2963	21.50
4	A	2302	2230	1.79
5	A	1486	1440	1.87
6	A	1422	1378	48.43
7	A	1370	1327	2.91
8	A	1225	1187	15.38
9	A	1093	1059	94.59
10	A	989	958	18.05
11	A	899	871	17.52
12	A	569	551	1.49
13	A	369	358	47.18
14	A	296	287	88.72
15	A	209	203	11.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.580	0.595	0.038
C2	0.832	0.111	-0.006
O3	-1.524	-0.456	-0.111
H4	-0.723	1.157	0.979
H5	-0.743	1.284	-0.804
H6	-1.415	-1.075	0.622
N7	1.938	-0.279	-0.015

	C1	C2	O3	H4	H5	H6	N7
C1		1.4937	1.4207	1.1052	1.1005	1.9558	2.6655
C2	1.4937		2.4262	2.1175	2.1201	2.6172	1.1720
O3	1.4207	2.4262		2.1053	2.0294	0.9658	3.4677
H4	1.1052	2.1175	2.1053		1.7880	2.3634	3.1826
H5	1.1005	2.1201	2.0294	1.7880		2.8372	3.2017
H6	1.9558	2.6172	0.9658	2.3634	2.8372		3.5039
N7	2.6655	1.1720	3.4677	3.1826	3.2017	3.5039

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.639	C1	O3	H6	108.576
C2	C1	O3	112.687	C2	C1	H4	108.196
C2	C1	H5	108.673	O3	C1	H4	112.318
O3	C1	H5	106.514	H4	C1	H5	108.309

All results from a given calculation for HOCH₂CN (cyanomethanol)

using model chemistry: QCISD/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: QCISD/aug-cc-pVDZ

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)