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	hartrees
Energy at 0K	-168.754836
Energy at 298.15K	-168.761264
HF Energy	-168.754836
Nuclear repulsion energy	79.623302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3725	3297	39.95
2	A	3695	3270	10.46
3	A	3508	3105	15.29
4	A	3419	3025	1.66
5	A	3286	2908	14.94
6	A	1867	1653	4.29
7	A	1630	1442	0.42
8	A	1586	1403	13.24
9	A	1495	1323	1.15
10	A	1473	1304	21.04
11	A	1238	1096	0.64
12	A	1193	1056	6.45
13	A	1105	978	70.38
14	A	941	832	11.05
15	A	916	811	79.12
16	A	448	397	39.03
17	A	405	358	81.87
18	A	326	289	35.72

Atom	x (Å)	y (Å)	z (Å)
N1	1.287	-0.156	-0.014
C2	-0.044	0.557	0.054
O3	-1.233	-0.275	-0.130
H4	1.241	-0.728	-0.905
H5	1.244	-0.904	0.736
H6	-0.064	1.111	1.021
H7	-0.065	1.294	-0.775
H8	-1.241	-0.823	0.737

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.5111	2.5250	1.0594	1.0604	2.1219	2.1233	2.7205
C2	1.5111		1.4626	2.0546	2.0632	1.1147	1.1098	1.9503
O3	2.5250	1.4626		2.6314	2.6979	2.1474	2.0596	1.0255
H4	1.0594	2.0546	2.6314		1.6504	2.9656	2.4106	2.9776
H5	1.0604	2.0632	2.6979	1.6504		2.4189	2.9711	2.4865
H6	2.1219	1.1147	2.1474	2.9656	2.4189		1.8057	2.2816
H7	2.1233	1.1098	2.0596	2.4106	2.9711	1.8057		2.8551
H8	2.7205	1.9503	1.0255	2.9776	2.4865	2.2816	2.8551

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.215	N1	C2	H6	106.851
N1	C2	H7	107.228	C2	N1	H4	104.752
C2	N1	H5	105.356	C2	O3	H8	101.790
O3	C2	H6	112.151	O3	C2	H7	105.561
H4	N1	H5	102.258	H6	C2	H7	108.531

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3PW91/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	-0.372
2	C	-0.007
3	O	-0.250
4	H	0.158
5	H	0.146
6	H	0.074
7	H	0.088
8	H	0.164

	x	y	z	Total
	-0.400	-1.159	0.960	1.557
CHELPG
AIM
ESP

	x	y	z
x	1.852	-0.035	-0.128
y	-0.035	1.834	-0.271
z	-0.128	-0.271	1.986

<r²>	50.836
(<r²>)^1/2	7.130

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3PW91/STO-3G

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)