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	hartrees
Energy at 0K	-207.528127
Energy at 298.15K	-207.531482
HF Energy	-206.839516
Nuclear repulsion energy	101.743297

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3831	3690
2	A	3145	3030
3	A	3059	2947
4	A	2289	2204
5	A	1509	1454
6	A	1442	1389
7	A	1392	1341
8	A	1227	1182
9	A	1082	1042
10	A	1003	966
11	A	894	861
12	A	571	550
13	A	397	383
14	A	302	291
15	A	210	203

Atom	x (Å)	y (Å)	z (Å)
C1	-0.575	0.594	0.038
C2	0.826	0.115	-0.007
O3	-1.517	-0.455	-0.109
H4	-0.711	1.148	0.974
H5	-0.737	1.279	-0.794
H6	-1.370	-1.083	0.609
N7	1.921	-0.280	-0.016

	C1	C2	O3	H4	H5	H6	N7
C1		1.4817	1.4175	1.0956	1.0901	1.9414	2.6450
C2	1.4817		2.4137	2.0953	2.1022	2.5761	1.1636
O3	1.4175	2.4137		2.0957	2.0216	0.9647	3.4431
H4	1.0956	2.0953	2.0957		1.7728	2.3545	3.1531
H5	1.0901	2.1022	2.0216	1.7728		2.8193	3.1783
H6	1.9414	2.5761	0.9647	2.3545	2.8193		3.4438
N7	2.6450	1.1636	3.4431	3.1531	3.1783	3.4438

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.359	C1	O3	H6	107.648
C2	C1	O3	112.702	C2	C1	H4	107.832
C2	C1	H5	108.694	O3	C1	H4	112.367
O3	C1	H5	106.717	H4	C1	H5	108.401

All results from a given calculation for HOCH₂CN (cyanomethanol)

using model chemistry: QCISD(T)/TZVP

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: QCISD(T)/TZVP

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)