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	hartrees
Energy at 0K	-207.386854
Energy at 298.15K	-207.390229
HF Energy	-206.762530
Nuclear repulsion energy	101.685308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3765	3576	33.07
2	A	3158	3000	5.99
3	A	3073	2918	23.60
4	A	2365	2246	2.46
5	A	1546	1469	1.88
6	A	1453	1380	51.14
7	A	1415	1344	2.03
8	A	1252	1189	20.66
9	A	1121	1065	90.12
10	A	1013	963	25.77
11	A	920	874	21.92
12	A	582	553	2.59
13	A	398	378	81.63
14	A	313	297	87.52
15	A	215	204	8.55

Atom	x (Å)	y (Å)	z (Å)
C1	-0.577	0.594	0.038
C2	0.826	0.114	-0.006
O3	-1.508	-0.459	-0.115
H4	-0.724	1.154	0.972
H5	-0.743	1.280	-0.797
H6	-1.424	-1.052	0.650
N7	1.923	-0.280	-0.014

	C1	C2	O3	H4	H5	H6	N7
C1		1.4830	1.4136	1.0991	1.0934	1.9500	2.6481
C2	1.4830		2.4054	2.1067	2.1085	2.6184	1.1653
O3	1.4136	2.4054		2.0974	2.0182	0.9720	3.4362
H4	1.0991	2.1067	2.0974		1.7736	2.3372	3.1672
H5	1.0934	2.1085	2.0182	1.7736		2.8279	3.1859
H6	1.9500	2.6184	0.9720	2.3372	2.8279		3.4987
N7	2.6481	1.1653	3.4362	3.1672	3.1859	3.4987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.436	C1	O3	H6	108.230
C2	C1	O3	112.265	C2	C1	H4	108.438
C2	C1	H5	108.908	O3	C1	H4	112.574
O3	C1	H5	106.525	H4	C1	H5	107.982

All results from a given calculation for HOCH₂CN (cyanomethanol)

using model chemistry: CCSD=FULL/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: CCSD=FULL/6-31G*

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)