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	hartrees
Energy at 0K	-171.060719
Energy at 298.15K	-171.067191
HF Energy	-171.060719
Nuclear repulsion energy	81.733648

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3740	3688	10.81
2	A	3527	3479	1.06
3	A	3440	3393	0.97
4	A	3048	3006	30.40
5	A	2967	2927	62.49
6	A	1637	1614	22.10
7	A	1470	1450	0.08
8	A	1390	1371	31.36
9	A	1359	1340	2.07
10	A	1338	1319	3.19
11	A	1137	1122	24.13
12	A	1068	1054	27.30
13	A	930	918	240.23
14	A	891	879	4.24
15	A	785	775	152.50
16	A	467	461	44.19
17	A	395	389	82.97
18	A	269	266	65.69

Atom	x (Å)	y (Å)	z (Å)
N1	1.234	-0.161	-0.021
C2	-0.025	0.536	0.048
O3	-1.215	-0.262	-0.116
H4	1.295	-0.715	-0.870
H5	1.365	-0.784	0.770
H6	-0.061	1.082	1.000
H7	-0.074	1.257	-0.772
H8	-1.297	-0.832	0.659

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4409	2.4530	1.0158	1.0155	2.0651	2.0709	2.7062
C2	1.4409		1.4417	2.0369	2.0488	1.0987	1.0934	1.9659
O3	2.4530	1.4417		2.6593	2.7772	2.0936	2.0102	0.9653
H4	1.0158	2.0369	2.6593		1.6427	2.9266	2.4032	3.0117
H5	1.0155	2.0488	2.7772	1.6427		2.3602	2.9360	2.6655
H6	2.0651	1.0987	2.0936	2.9266	2.3602		1.7813	2.3047
H7	2.0709	1.0934	2.0102	2.4032	2.9360	1.7813		2.8129
H8	2.7062	1.9659	0.9653	3.0117	2.6655	2.3047	2.8129

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.635	N1	C2	H6	108.059
N1	C2	H7	108.829	C2	N1	H4	110.832
C2	N1	H5	111.871	C2	O3	H8	107.877
O3	C2	H6	110.275	O3	C2	H7	104.078
H4	N1	H5	107.936	H6	C2	H7	108.699

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B97D3/Def2TZVPP

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	-0.317
2	C	0.113
3	O	-0.335
4	H	0.132
5	H	0.118
6	H	0.058
7	H	0.067
8	H	0.163

	x	y	z	Total
	0.414	-1.049	1.213	1.656
CHELPG
AIM
ESP

	x	y	z
x	4.674	-0.038	-0.095
y	-0.038	4.165	-0.111
z	-0.095	-0.111	4.008

<r²>	50.280
(<r²>)^1/2	7.091

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B97D3/Def2TZVPP

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)