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	hartrees
Energy at 0K	-94.555712
Energy at 298.15K	-94.558609
HF Energy	-94.555712
Nuclear repulsion energy	32.775340

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'	3463	3410	12.76	102.13	0.66	0.80
2	A'	3264	3215	59.17	612.98	0.29	0.45
3	A'	2851	2807	113.46	199.07	0.59	0.74
4	A'	1654	1629	6.99	29.25	0.56	0.72
5	A'	1403	1381	14.31	13.60	0.10	0.19
6	A'	1346	1325	10.36	22.45	0.25	0.40
7	A'	1051	1035	27.91	22.87	0.28	0.43
8	A"	1135	1117	9.72	0.21	0.75	0.86
9	A"	784	772	135.60	0.80	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	-1.139
H5	0.946	-1.024

	C1	N2	H3	H4	H5
C1		1.3125	1.1125	2.0948	2.0161
N2	1.3125		1.9429	1.0251	1.0151
H3	1.1125	1.9429		2.2517	2.8836
H4	2.0948	1.0251	2.2517		1.7076
H5	2.0161	1.0151	2.8836	1.7076

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.876		C1	N2	H5	119.485
N2	C1	H3	106.197		H4	N2	H5	113.639

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B97D3/aug-cc-pVTZ

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	-0.515
2	N	0.056
3	H	0.268
4	H	0.058
5	H	0.132

	x	y	z	Total
	-1.268	-3.198	0.000	3.440
CHELPG
AIM
ESP

	x	y	z
x	4.045	0.232	0.000
y	0.232	5.225	0.000
z	0.000	0.000	3.093

<r²>	20.144
(<r²>)^1/2	4.488

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)