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	hartrees
Energy at 0K	-207.395912
Energy at 298.15K	-207.399218
HF Energy	-206.759094
Nuclear repulsion energy	101.156346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3736	3567
2	A	3141	2999
3	A	3049	2911
4	A	2198	2098
5	A	1536	1466
6	A	1439	1373
7	A	1398	1335
8	A	1237	1181
9	A	1093	1044
10	A	1002	957
11	A	902	862
12	A	563	538
13	A	392	374
14	A	298	284
15	A	200	191

Atom	x (Å)	y (Å)	z (Å)
C1	-0.582	0.597	0.038
C2	0.825	0.122	-0.007
O3	-1.512	-0.465	-0.115
H4	-0.730	1.158	0.974
H5	-0.754	1.282	-0.799
H6	-1.417	-1.056	0.653
N7	1.934	-0.282	-0.014

	C1	C2	O3	H4	H5	H6	N7
C1		1.4853	1.4196	1.1015	1.0954	1.9515	2.6657
C2	1.4853		2.4118	2.1106	2.1135	2.6172	1.1808
O3	1.4196	2.4118		2.1048	2.0233	0.9740	3.4527
H4	1.1015	2.1106	2.1048		1.7773	2.3407	3.1863
H5	1.0954	2.1135	2.0233	1.7773		2.8312	3.2079
H6	1.9515	2.6172	0.9740	2.3407	2.8312		3.5038
N7	2.6657	1.1808	3.4527	3.1863	3.2079	3.5038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.072	C1	O3	H6	107.781
C2	C1	O3	112.233	C2	C1	H4	108.442
C2	C1	H5	109.021	O3	C1	H4	112.597
O3	C1	H5	106.409	H4	C1	H5	107.994

All results from a given calculation for HOCH₂CN (cyanomethanol)

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)