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	hartrees
Energy at 0K	-171.158141
Energy at 298.15K	-171.164645
HF Energy	-171.158141
Nuclear repulsion energy	81.966794

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3787	3787	14.44
2	A	3569	3569	1.45
3	A	3486	3486	0.89
4	A	3105	3105	27.62
5	A	3026	3026	56.49
6	A	1668	1668	23.45
7	A	1510	1510	0.04
8	A	1417	1417	32.33
9	A	1386	1386	2.05
10	A	1362	1362	4.20
11	A	1151	1151	29.64
12	A	1089	1089	26.50
13	A	973	973	241.45
14	A	898	898	3.91
15	A	806	806	150.63
16	A	468	468	44.57
17	A	395	395	82.93
18	A	272	272	69.87

Atom	x (Å)	y (Å)	z (Å)
N1	1.231	-0.160	-0.020
C2	-0.027	0.536	0.048
O3	-1.208	-0.263	-0.117
H4	1.296	-0.710	-0.870
H5	1.362	-0.785	0.768
H6	-0.065	1.077	0.998
H7	-0.075	1.253	-0.770
H8	-1.304	-0.827	0.660

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4386	2.4427	1.0144	1.0142	2.0607	2.0652	2.7075
C2	1.4386		1.4352	2.0351	2.0473	1.0942	1.0893	1.9651
O3	2.4427	1.4352		2.6524	2.7677	2.0842	2.0024	0.9642
H4	1.0144	2.0351	2.6524		1.6414	2.9213	2.3960	3.0186
H5	1.0142	2.0473	2.7677	1.6414		2.3576	2.9301	2.6686
H6	2.0607	1.0942	2.0842	2.9213	2.3576		1.7766	2.2967
H7	2.0652	1.0893	2.0024	2.3960	2.9301	1.7766		2.8074
H8	2.7075	1.9651	0.9642	3.0186	2.6686	2.2967	2.8074

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.422	N1	C2	H6	108.125
N1	C2	H7	108.775	C2	N1	H4	110.937
C2	N1	H5	111.996	C2	O3	H8	108.365
O3	C2	H6	110.244	O3	C2	H7	104.127
H4	N1	H5	108.018	H6	C2	H7	108.910

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: TPSSh/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	-0.336
2	C	0.143
3	O	-0.350
4	H	0.139
5	H	0.123
6	H	0.051
7	H	0.058
8	H	0.174

	x	y	z	Total
	0.375	-1.029	1.241	1.655
CHELPG
AIM
ESP

	x	y	z
x	4.522	-0.037	-0.086
y	-0.037	4.053	-0.110
z	-0.086	-0.110	3.921

<r²>	50.011
(<r²>)^1/2	7.072

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: TPSSh/Def2TZVPP

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)