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	hartrees
Energy at 0K	-207.446849
Energy at 298.15K	-207.450262
HF Energy	-206.812509
Nuclear repulsion energy	102.037157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3868	3694	26.02
2	A	3152	3011	5.47
3	A	3064	2927	25.04
4	A	2365	2258	2.67
5	A	1530	1461	3.42
6	A	1461	1395	55.22
7	A	1416	1352	1.48
8	A	1260	1203	22.66
9	A	1136	1085	94.72
10	A	1011	966	22.62
11	A	914	873	22.38
12	A	590	563	3.31
13	A	403	385	96.85
14	A	319	305	83.29
15	A	219	209	9.55

Atom	x (Å)	y (Å)	z (Å)
C1	-0.577	0.589	0.038
C2	0.828	0.112	-0.006
O3	-1.508	-0.454	-0.112
H4	-0.718	1.147	0.973
H5	-0.739	1.277	-0.795
H6	-1.415	-1.060	0.625
N7	1.918	-0.277	-0.014

	C1	C2	O3	H4	H5	H6	N7
C1		1.4846	1.4058	1.0982	1.0923	1.9410	2.6417
C2	1.4846		2.4061	2.1022	2.1064	2.6086	1.1573
O3	1.4058	2.4061		2.0890	2.0131	0.9592	3.4320
H4	1.0982	2.1022	2.0890		1.7729	2.3409	3.1545
H5	1.0923	2.1064	2.0131	1.7729		2.8172	3.1761
H6	1.9410	2.6086	0.9592	2.3409	2.8172		3.4828
N7	2.6417	1.1573	3.4320	3.1545	3.1761	3.4828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.424	C1	O3	H6	108.848
C2	C1	O3	112.674	C2	C1	H4	108.033
C2	C1	H5	108.699	O3	C1	H4	112.500
O3	C1	H5	106.715	H4	C1	H5	108.067

All results from a given calculation for HOCH₂CN (cyanomethanol)

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

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)