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	hartrees
Energy at 0K	-207.482354
Energy at 298.15K	-207.485769
HF Energy	-206.822682
Nuclear repulsion energy	101.988556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3911	3911	39.23
2	A	3153	3153	6.19
3	A	3070	3070	26.46
4	A	2344	2344	2.82
5	A	1524	1524	2.00
6	A	1457	1457	51.66
7	A	1411	1411	2.12
8	A	1250	1250	16.18
9	A	1127	1127	93.85
10	A	1013	1013	18.39
11	A	908	908	20.89
12	A	586	586	3.50
13	A	402	402	84.61
14	A	320	320	66.98
15	A	218	218	8.78

Atom	x (Å)	y (Å)	z (Å)
C1	-0.580	0.591	0.038
C2	0.827	0.115	-0.006
O3	-1.508	-0.457	-0.110
H4	-0.718	1.150	0.972
H5	-0.738	1.277	-0.797
H6	-1.379	-1.061	0.623
N7	1.918	-0.277	-0.015

	C1	C2	O3	H4	H5	H6	N7
C1		1.4857	1.4079	1.0977	1.0921	1.9262	2.6450
C2	1.4857		2.4062	2.1010	2.1036	2.5775	1.1596
O3	1.4079	2.4062		2.0927	2.0183	0.9588	3.4322
H4	1.0977	2.1010	2.0927		1.7738	2.3341	3.1560
H5	1.0921	2.1036	2.0183	1.7738		2.8100	3.1751
H6	1.9262	2.5775	0.9588	2.3341	2.8100		3.4483
N7	2.6450	1.1596	3.4322	3.1560	3.1751	3.4483

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.377	C1	O3	H6	107.435
C2	C1	O3	112.494	C2	C1	H4	107.892
C2	C1	H5	108.415	O3	C1	H4	112.691
O3	C1	H5	106.996	H4	C1	H5	108.198

All results from a given calculation for HOCH₂CN (cyanomethanol)

using model chemistry: CCSD/6-311G**

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/6-311G**

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)