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	hartrees
Energy at 0K	-168.794625
Energy at 298.15K	-168.801025
HF Energy	-168.794625
Nuclear repulsion energy	79.314809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3676	3280	46.40
2	A	3656	3262	12.41
3	A	3470	3096	17.14
4	A	3396	3031	1.90
5	A	3264	2912	15.32
6	A	1861	1661	3.77
7	A	1626	1451	0.49
8	A	1580	1410	12.72
9	A	1486	1327	1.05
10	A	1464	1307	21.25
11	A	1229	1097	0.68
12	A	1180	1053	8.93
13	A	1087	970	64.33
14	A	936	835	9.45
15	A	905	807	76.52
16	A	441	394	37.47
17	A	400	357	78.84
18	A	321	286	35.44

Atom	x (Å)	y (Å)	z (Å)
N1	1.292	-0.157	-0.015
C2	-0.044	0.562	0.054
O3	-1.237	-0.277	-0.130
H4	1.243	-0.731	-0.907
H5	1.246	-0.906	0.738
H6	-0.065	1.115	1.023
H7	-0.066	1.298	-0.777
H8	-1.240	-0.833	0.737

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.5191	2.5345	1.0620	1.0631	2.1304	2.1318	2.7259
C2	1.5191		1.4698	2.0627	2.0710	1.1157	1.1108	1.9597
O3	2.5345	1.4698		2.6389	2.7050	2.1542	2.0661	1.0295
H4	1.0620	2.0627	2.6389		1.6545	2.9745	2.4187	2.9795
H5	1.0631	2.0710	2.7050	1.6545		2.4266	2.9797	2.4870
H6	2.1304	1.1157	2.1542	2.9745	2.4266		1.8096	2.2931
H7	2.1318	1.1108	2.0661	2.4187	2.9797	1.8096		2.8650
H8	2.7259	1.9597	1.0295	2.9795	2.4870	2.2931	2.8650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	115.975	N1	C2	H6	106.909
N1	C2	H7	107.292	C2	N1	H4	104.709
C2	N1	H5	105.278	C2	O3	H8	101.828
O3	C2	H6	112.128	O3	C2	H7	105.536
H4	N1	H5	102.258	H6	C2	H7	108.731

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3LYP/STO-3G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	N	-0.366
2	C	0.003
3	O	-0.246
4	H	0.154
5	H	0.142
6	H	0.071
7	H	0.084
8	H	0.158

	x	y	z	Total
	-0.400	-1.132	0.939	1.524
CHELPG
AIM
ESP

	x	y	z
x	1.890	-0.039	-0.131
y	-0.039	1.880	-0.278
z	-0.131	-0.278	2.019

<r²>	51.154
(<r²>)^1/2	7.152

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)