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	hartrees
Energy at 0K	-171.033879
Energy at 298.15K	-171.040407
HF Energy	-171.033879
Nuclear repulsion energy	82.334521

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3869	3706	24.11
2	A	3638	3485	4.78
3	A	3546	3396	2.14
4	A	3146	3013	24.35
5	A	3067	2937	52.34
6	A	1651	1582	28.32
7	A	1483	1420	0.34
8	A	1409	1350	36.46
9	A	1376	1318	2.33
10	A	1353	1296	4.35
11	A	1166	1117	55.69
12	A	1115	1068	21.32
13	A	1023	980	213.96
14	A	905	867	2.82
15	A	796	763	144.36
16	A	475	455	46.70
17	A	394	378	83.96
18	A	271	259	72.30

Atom	x (Å)	y (Å)	z (Å)
N1	1.222	-0.159	-0.020
C2	-0.030	0.533	0.048
O3	-1.199	-0.262	-0.116
H4	1.294	-0.703	-0.871
H5	1.360	-0.783	0.766
H6	-0.068	1.079	1.000
H7	-0.077	1.259	-0.769
H8	-1.291	-0.839	0.648

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4314	2.4247	1.0135	1.0133	2.0581	2.0631	2.6870
C2	1.4314		1.4231	2.0310	2.0439	1.0984	1.0939	1.9569
O3	2.4247	1.4231		2.6417	2.7559	2.0792	1.9994	0.9609
H4	1.0135	2.0310	2.6417		1.6407	2.9214	2.3955	3.0007
H5	1.0133	2.0439	2.7559	1.6407		2.3584	2.9307	2.6535
H6	2.0581	1.0984	2.0792	2.9214	2.3584		1.7780	2.3017
H7	2.0631	1.0939	1.9994	2.3955	2.9307	1.7780		2.8067
H8	2.6870	1.9569	0.9609	3.0007	2.6535	2.3017	2.8067

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.303	N1	C2	H6	108.168
N1	C2	H7	108.831	C2	N1	H4	111.193
C2	N1	H5	112.331	C2	O3	H8	108.795
O3	C2	H6	110.437	O3	C2	H7	104.433
H4	N1	H5	108.095	H6	C2	H7	108.389

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B1B95/aug-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	-0.098
2	C	1.111
3	O	-0.423
4	H	-0.054
5	H	-0.071
6	H	-0.251
7	H	-0.293
8	H	0.079

	x	y	z	Total
	0.382	-1.005	1.230	1.633
CHELPG
AIM
ESP

	x	y	z
x	5.000	0.053	-0.060
y	0.053	4.470	-0.050
z	-0.060	-0.050	4.161

<r²>	49.759
(<r²>)^1/2	7.054

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)