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	hartrees
Energy at 0K	-94.552731
Energy at 298.15K	-94.555627
HF Energy	-94.552731
Nuclear repulsion energy	32.771028

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'	3469	3424	13.70	79.44	0.67	0.80
2	A'	3270	3228	53.91	488.40	0.29	0.45
3	A'	2845	2808	109.33	167.29	0.61	0.76
4	A'	1653	1632	7.51	27.10	0.58	0.74
5	A'	1403	1385	14.46	13.01	0.15	0.27
6	A'	1347	1329	12.96	10.77	0.31	0.48
7	A'	1050	1036	26.65	15.72	0.36	0.53
8	A"	1135	1121	9.73	0.36	0.75	0.86
9	A"	787	776	138.62	0.54	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.789
N2	0.063	-0.524
H3	-1.006	1.099
H4	-0.757	-1.140
H5	0.946	-1.025

	C1	N2	H3	H4	H5
C1		1.3124	1.1129	2.0956	2.0170
N2	1.3124		1.9430	1.0257	1.0156
H3	1.1129	1.9430		2.2525	2.8845
H4	2.0956	1.0257	2.2525		1.7075
H5	2.0170	1.0156	2.8845	1.7075

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.917		C1	N2	H5	119.543
N2	C1	H3	106.189		H4	N2	H5	113.539

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.096
2	N	-0.346
3	H	0.117
4	H	0.146
5	H	0.179

	x	y	z	Total
	-1.307	-3.231	0.000	3.485
CHELPG
AIM
ESP

	x	y	z
x	3.789	0.185	0.000
y	0.185	5.066	0.000
z	0.000	0.000	2.945

<r²>	20.145
(<r²>)^1/2	4.488

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)