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	hartrees
Energy at 0K	-207.437861
Energy at 298.15K	-207.441193
HF Energy	-206.780845
Nuclear repulsion energy	100.966472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3824	3698
2	A	3139	3035
3	A	3044	2944
4	A	2174	2102
5	A	1484	1435
6	A	1429	1382
7	A	1378	1333
8	A	1226	1185
9	A	1100	1064
10	A	987	955
11	A	890	861
12	A	564	546
13	A	393	380
14	A	302	292
15	A	204	197

Atom	x (Å)	y (Å)	z (Å)
C1	-0.590	0.591	0.037
C2	0.827	0.121	-0.005
O3	-1.518	-0.464	-0.113
H4	-0.729	1.164	0.977
H5	-0.753	1.284	-0.806
H6	-1.391	-1.056	0.644
N7	1.942	-0.279	-0.015

	C1	C2	O3	H4	H5	H6	N7
C1		1.4940	1.4137	1.1095	1.1033	1.9291	2.6787
C2	1.4940		2.4200	2.1157	2.1188	2.5933	1.1850
O3	1.4137	2.4200		2.1124	2.0309	0.9686	3.4673
H4	1.1095	2.1157	2.1124		1.7872	2.3403	3.1948
H5	1.1033	2.1188	2.0309	1.7872		2.8256	3.2146
H6	1.9291	2.5933	0.9686	2.3403	2.8256		3.4851
N7	2.6787	1.1850	3.4673	3.1948	3.2146	3.4851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.176	C1	O3	H6	106.652
C2	C1	O3	112.637	C2	C1	H4	107.797
C2	C1	H5	108.392	O3	C1	H4	113.140
O3	C1	H5	106.936	H4	C1	H5	107.741

All results from a given calculation for HOCH₂CN (cyanomethanol)

using model chemistry: MP4/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: MP4/cc-pVDZ

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)