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	hartrees
Energy at 0K	-170.944903
Energy at 298.15K	-170.951409
HF Energy	-170.944903
Nuclear repulsion energy	81.533124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3685	3643	9.23
2	A	3518	3478	1.88
3	A	3428	3389	0.63
4	A	3040	3005	25.23
5	A	2955	2921	57.80
6	A	1622	1604	30.31
7	A	1444	1428	0.27
8	A	1381	1365	32.59
9	A	1343	1327	2.11
10	A	1321	1306	2.59
11	A	1131	1118	32.09
12	A	1071	1059	27.54
13	A	929	919	234.46
14	A	885	875	3.49
15	A	759	750	175.56
16	A	464	458	57.05
17	A	416	411	91.18
18	A	291	287	75.79

Atom	x (Å)	y (Å)	z (Å)
N1	1.233	-0.161	-0.023
C2	-0.024	0.533	0.048
O3	-1.220	-0.260	-0.115
H4	1.310	-0.711	-0.879
H5	1.390	-0.776	0.777
H6	-0.054	1.084	1.005
H7	-0.076	1.260	-0.773
H8	-1.293	-0.845	0.659

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4384	2.4569	1.0208	1.0205	2.0646	2.0729	2.7044
C2	1.4384		1.4445	2.0471	2.0607	1.1040	1.0983	1.9707
O3	2.4569	1.4445		2.6815	2.8064	2.1030	2.0141	0.9732
H4	1.0208	2.0471	2.6815		1.6592	2.9383	2.4121	3.0270
H5	1.0205	2.0607	2.8064	1.6592		2.3660	2.9492	2.6868
H6	2.0646	1.1040	2.1030	2.9383	2.3660		1.7869	2.3192
H7	2.0729	1.0983	2.0141	2.4121	2.9492	1.7869		2.8230
H8	2.7044	1.9707	0.9732	3.0270	2.6868	2.3192	2.8230

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.914	N1	C2	H6	107.877
N1	C2	H7	108.866	C2	N1	H4	111.573
C2	N1	H5	112.766	C2	O3	H8	107.589
O3	C2	H6	110.504	O3	C2	H7	103.924
H4	N1	H5	108.743	H6	C2	H7	108.454

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBEPBEultrafine/TZVP

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	-0.392
2	C	-0.160
3	O	-0.346
4	H	0.202
5	H	0.196
6	H	0.123
7	H	0.139
8	H	0.236

	x	y	z	Total
	0.526	-1.156	1.307	1.822
CHELPG
AIM
ESP

	x	y	z
x	4.510	-0.036	-0.099
y	-0.036	4.004	-0.134
z	-0.099	-0.134	3.893

<r²>	50.636
(<r²>)^1/2	7.116

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)