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	hartrees
Energy at 0K	-207.456024
Energy at 298.15K	-207.459348
HF Energy	-206.799559
Nuclear repulsion energy	101.162127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3841	3700	43.51
2	A	3139	3024	3.68
3	A	3061	2949	21.10
4	A	2316	2231	2.15
5	A	1487	1433	1.91
6	A	1424	1372	49.00
7	A	1373	1323	2.97
8	A	1227	1182	15.16
9	A	1097	1057	94.06
10	A	990	954	17.98
11	A	901	868	17.67
12	A	570	549	1.52
13	A	370	356	47.45
14	A	297	286	88.99
15	A	210	202	11.21

Atom	x (Å)	y (Å)	z (Å)
C1	-0.580	0.594	0.038
C2	0.832	0.111	-0.006
O3	-1.524	-0.456	-0.111
H4	-0.723	1.156	0.979
H5	-0.742	1.284	-0.804
H6	-1.414	-1.075	0.621
N7	1.936	-0.278	-0.015

	C1	C2	O3	H4	H5	H6	N7
C1		1.4932	1.4198	1.1051	1.1004	1.9550	2.6638
C2	1.4932		2.4252	2.1167	2.1193	2.6161	1.1708
O3	1.4198	2.4252		2.1046	2.0290	0.9654	3.4658
H4	1.1051	2.1167	2.1046		1.7875	2.3630	3.1806
H5	1.1004	2.1193	2.0290	1.7875		2.8365	3.1998
H6	1.9550	2.6161	0.9654	2.3630	2.8365		3.5017
N7	2.6638	1.1708	3.4658	3.1806	3.1998	3.5017

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.636	C1	O3	H6	108.590
C2	C1	O3	112.696	C2	C1	H4	108.180
C2	C1	H5	108.651	O3	C1	H4	112.333
O3	C1	H5	106.548	H4	C1	H5	108.286

All results from a given calculation for HOCH₂CN (cyanomethanol)

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

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)