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	hartrees
Energy at 0K	-170.061862
Energy at 298.15K	-170.068377
HF Energy	-170.061862
Nuclear repulsion energy	80.875893

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3587	3448	1.41
2	A	3498	3362	2.79
3	A	3480	3345	0.30
4	A	3136	3014	30.10
5	A	3032	2915	72.46
6	A	1725	1658	27.11
7	A	1544	1484	0.88
8	A	1431	1376	20.43
9	A	1409	1354	1.08
10	A	1375	1322	6.85
11	A	1172	1127	27.26
12	A	1107	1064	42.22
13	A	942	906	175.92
14	A	900	865	6.45
15	A	636	611	240.77
16	A	452	435	69.76
17	A	433	416	153.04
18	A	322	309	97.56

Atom	x (Å)	y (Å)	z (Å)
N1	1.233	-0.172	-0.026
C2	-0.020	0.533	0.052
O3	-1.246	-0.254	-0.113
H4	1.380	-0.670	-0.902
H5	1.470	-0.740	0.786
H6	-0.030	1.087	1.002
H7	-0.074	1.252	-0.768
H8	-1.288	-0.891	0.650

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4394	2.4817	1.0188	1.0189	2.0576	2.0697	2.7072
C2	1.4394		1.4668	2.0779	2.0929	1.0991	1.0916	1.9984
O3	2.4817	1.4668		2.7732	2.9022	2.1262	2.0178	0.9941
H4	1.0188	2.0779	2.7732		1.6916	2.9493	2.4134	3.0943
H5	1.0189	2.0929	2.9022	1.6916		2.3738	2.9607	2.7661
H6	2.0576	1.0991	2.1262	2.9493	2.3738		1.7778	2.3703
H7	2.0697	1.0916	2.0178	2.4134	2.9607	1.7778		2.8415
H8	2.7072	1.9984	0.9941	3.0943	2.7661	2.3703	2.8415

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	117.285	N1	C2	H6	107.545
N1	C2	H7	108.946	C2	N1	H4	114.324
C2	N1	H5	115.659	C2	O3	H8	107.027
O3	C2	H6	111.107	O3	C2	H7	103.143
H4	N1	H5	112.231	H6	C2	H7	108.485

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3PW91/3-21G

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	-0.720
2	C	-0.066
3	O	-0.563
4	H	0.295
5	H	0.284
6	H	0.203
7	H	0.241
8	H	0.326

	x	y	z	Total
	0.839	-1.340	1.351	2.079
CHELPG
AIM
ESP

	x	y	z
x	3.110	-0.101	-0.080
y	-0.101	2.735	-0.267
z	-0.080	-0.267	2.983

<r²>	50.880
(<r²>)^1/2	7.133

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3PW91/3-21G

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)