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	hartrees
Energy at 0K	-94.562180
Energy at 298.15K	-94.565077
HF Energy	-94.562180
Nuclear repulsion energy	32.795103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3460	3460	12.79	102.85	0.67	0.80
2	A'	3263	3263	59.03	616.37	0.29	0.45
3	A'	2847	2847	113.39	199.82	0.59	0.74
4	A'	1655	1655	6.98	29.50	0.56	0.72
5	A'	1404	1404	13.83	13.39	0.10	0.19
6	A'	1347	1347	10.52	24.41	0.22	0.37
7	A'	1053	1053	28.09	23.87	0.26	0.42
8	A"	1136	1136	9.62	0.19	0.75	0.86
9	A"	788	788	135.18	0.82	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.788
N2	0.063	-0.524
H3	-1.005	1.099
H4	-0.757	-1.138
H5	0.946	-1.024

	C1	N2	H3	H4	H5
C1		1.3114	1.1123	2.0934	2.0152
N2	1.3114		1.9427	1.0248	1.0148
H3	1.1123	1.9427		2.2515	2.8832
H4	2.0934	1.0248	2.2515		1.7068
H5	2.0152	1.0148	2.8832	1.7068

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.867		C1	N2	H5	119.520
N2	C1	H3	106.269		H4	N2	H5	113.613

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B97D3/aug-cc-pVQZ

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	C	-0.392
2	N	-0.424
3	H	0.215
4	H	0.269
5	H	0.332

	x	y	z	Total
	-1.268	-3.196	0.000	3.438
CHELPG
AIM
ESP

	x	y	z
x	4.060	0.232	0.000
y	0.232	5.234	0.000
z	0.000	0.000	3.119

<r²>	20.127
(<r²>)^1/2	4.486

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B97D3/aug-cc-pVQZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)