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	hartrees
Energy at 0K	-207.401991
Energy at 298.15K	-207.405391
HF Energy	-206.785657
Nuclear repulsion energy	101.721531

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3902	3699	44.96
2	A	3178	3012	6.44
3	A	3091	2930	26.31
4	A	2423	2297	0.91
5	A	1501	1423	1.72
6	A	1452	1376	53.84
7	A	1403	1330	4.64
8	A	1247	1182	13.89
9	A	1143	1083	94.83
10	A	1003	951	16.92
11	A	918	870	19.95
12	A	586	556	2.79
13	A	398	377	72.46
14	A	314	298	71.26
15	A	215	203	8.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.583	0.588	0.038
C2	0.829	0.113	-0.005
O3	-1.512	-0.457	-0.112
H4	-0.718	1.158	0.975
H5	-0.738	1.283	-0.801
H6	-1.394	-1.056	0.634
N7	1.925	-0.276	-0.015

	C1	C2	O3	H4	H5	H6	N7
C1		1.4906	1.4058	1.1057	1.1001	1.9271	2.6534
C2	1.4906		2.4119	2.1088	2.1111	2.5914	1.1630
O3	1.4058	2.4119		2.1021	2.0250	0.9639	3.4431
H4	1.1057	2.1088	2.1021		1.7809	2.3392	3.1662
H5	1.1001	2.1111	2.0250	1.7809		2.8210	3.1841
H6	1.9271	2.5914	0.9639	2.3392	2.8210		3.4701
N7	2.6534	1.1630	3.4431	3.1662	3.1841	3.4701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.482	C1	O3	H6	107.353
C2	C1	O3	112.726	C2	C1	H4	107.709
C2	C1	H5	108.205	O3	C1	H4	113.112
O3	C1	H5	107.191	H4	C1	H5	107.687

All results from a given calculation for HOCH₂CN (cyanomethanol)

using model chemistry: MP3/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: MP3/cc-pVDZ

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)