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	hartrees
Energy at 0K	-171.099714
Energy at 298.15K	-171.106242
HF Energy	-171.099714
Nuclear repulsion energy	81.820599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3814	3672	19.19
2	A	3617	3482	5.40
3	A	3521	3390	1.31
4	A	3128	3011	26.56
5	A	3045	2931	56.41
6	A	1672	1610	37.84
7	A	1506	1450	0.06
8	A	1421	1368	38.54
9	A	1383	1331	1.57
10	A	1356	1306	5.73
11	A	1149	1106	47.66
12	A	1091	1050	33.64
13	A	984	947	258.75
14	A	905	871	2.72
15	A	782	752	179.01
16	A	474	456	50.07
17	A	406	390	101.94
18	A	288	277	95.39

Atom	x (Å)	y (Å)	z (Å)
N1	1.229	-0.162	-0.019
C2	-0.028	0.535	0.048
O3	-1.211	-0.263	-0.117
H4	1.319	-0.696	-0.878
H5	1.388	-0.777	0.772
H6	-0.067	1.078	1.001
H7	-0.076	1.257	-0.770
H8	-1.318	-0.834	0.655

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4386	2.4437	1.0155	1.0153	2.0634	2.0685	2.7191
C2	1.4386		1.4366	2.0468	2.0617	1.0971	1.0920	1.9769
O3	2.4437	1.4366		2.6775	2.7946	2.0873	2.0058	0.9667
H4	1.0155	2.0468	2.6775		1.6542	2.9328	2.4028	3.0539
H5	1.0153	2.0617	2.7946	1.6542		2.3688	2.9426	2.7091
H6	2.0634	1.0971	2.0873	2.9328	2.3688		1.7795	2.3114
H7	2.0685	1.0920	2.0058	2.4028	2.9426	1.7795		2.8188
H8	2.7191	1.9769	0.9667	3.0539	2.7091	2.3114	2.8188

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.409	N1	C2	H6	108.176
N1	C2	H7	108.881	C2	N1	H4	111.872
C2	N1	H5	113.190	C2	O3	H8	109.120
O3	C2	H6	110.221	O3	C2	H7	104.148
H4	N1	H5	109.084	H6	C2	H7	108.753

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3LYPultrafine/6-31+G**

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	-0.640
2	C	-0.029
3	O	-0.510
4	H	0.297
5	H	0.283
6	H	0.124
7	H	0.143
8	H	0.332

	x	y	z	Total
	0.466	-1.093	1.407	1.842
CHELPG
AIM
ESP

	x	y	z
x	4.681	0.048	-0.048
y	0.048	4.029	-0.046
z	-0.048	-0.046	3.760

<r²>	50.542
(<r²>)^1/2	7.109

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)