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	hartrees
Energy at 0K	-170.914188
Energy at 298.15K	-170.920828
HF Energy	-170.748500
Nuclear repulsion energy	82.057520

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3798	3637	14.57
2	A	3572	3421	0.46
3	A	3487	3340	0.71
4	A	3134	3002	35.27
5	A	3042	2913	71.24
6	A	1668	1598	17.69
7	A	1501	1437	0.39
8	A	1432	1372	48.43
9	A	1397	1338	1.79
10	A	1382	1324	1.60
11	A	1177	1127	25.12
12	A	1122	1074	23.70
13	A	1036	992	239.66
14	A	921	882	3.53
15	A	875	838	121.30
16	A	480	460	50.62
17	A	423	405	97.72
18	A	313	300	57.17

Atom	x (Å)	y (Å)	z (Å)
N1	1.231	-0.156	-0.022
C2	-0.032	0.537	0.048
O3	-1.200	-0.264	-0.114
H4	1.249	-0.731	-0.866
H5	1.320	-0.805	0.762
H6	-0.062	1.093	1.003
H7	-0.079	1.266	-0.774
H8	-1.255	-0.844	0.657

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4428	2.4354	1.0219	1.0219	2.0689	2.0746	2.6675
C2	1.4428		1.4250	2.0211	2.0350	1.1052	1.0991	1.9427
O3	2.4354	1.4250		2.6037	2.7226	2.0936	2.0072	0.9675
H4	1.0219	2.0211	2.6037		1.6316	2.9217	2.4000	2.9327
H5	1.0219	2.0350	2.7226	1.6316		2.3600	2.9337	2.5772
H6	2.0689	1.1052	2.0936	2.9217	2.3600		1.7848	2.3011
H7	2.0746	1.0991	2.0072	2.4000	2.9337	1.7848		2.8074
H8	2.6675	1.9427	0.9675	2.9327	2.5772	2.3011	2.8074

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.253	N1	C2	H6	107.843
N1	C2	H7	108.649	C2	N1	H4	108.975
C2	N1	H5	110.135	C2	O3	H8	107.026
O3	C2	H6	111.049	O3	C2	H7	104.614
H4	N1	H5	105.936	H6	C2	H7	108.133

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B2PLYP/cc-pVDZ

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	-0.206
2	C	0.165
3	O	-0.293
4	H	0.081
5	H	0.070
6	H	0.018
7	H	0.038
8	H	0.126

	x	y	z	Total
	0.248	-1.156	1.203	1.687
CHELPG
AIM
ESP

	x	y	z
x	3.504	-0.103	-0.096
y	-0.103	3.407	-0.172
z	-0.096	-0.172	3.384

<r²>	49.547
(<r²>)^1/2	7.039

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)