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	hartrees
Energy at 0K	-94.519628
Energy at 298.15K	-94.522508
HF Energy	-94.519628
Nuclear repulsion energy	32.525500

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'	3435	3406	7.26	116.03	0.55	0.71
2	A'	3200	3173	74.09	476.34	0.31	0.47
3	A'	2811	2787	147.29	181.12	0.51	0.68
4	A'	1623	1609	1.73	36.02	0.44	0.61
5	A'	1404	1392	10.24	8.77	0.53	0.69
6	A'	1339	1328	10.73	2.04	0.65	0.79
7	A'	1035	1026	28.83	17.60	0.46	0.63
8	A"	1134	1125	10.48	1.26	0.75	0.86
9	A"	753	747	131.86	1.55	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.795
N2	0.063	-0.525
H3	-1.026	1.091
H4	-0.753	-1.162
H5	0.956	-1.027

	C1	N2	H3	H4	H5
C1		1.3204	1.1290	2.1211	2.0291
N2	1.3204		1.9492	1.0356	1.0239
H3	1.1290	1.9492		2.2701	2.9008
H4	2.1211	1.0356	2.2701		1.7141
H5	2.0291	1.0239	2.9008	1.7141

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.982		C1	N2	H5	119.346
N2	C1	H3	105.193		H4	N2	H5	112.672

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B97D3/cc-pVDZ

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	-0.208
2	N	0.004
3	H	0.015
4	H	0.075
5	H	0.114

	x	y	z	Total
	-1.118	-3.185	0.000	3.375
CHELPG
AIM
ESP

	x	y	z
x	3.002	-0.161	0.000
y	-0.161	4.049	0.000
z	0.000	0.000	1.609

<r²>	19.928
(<r²>)^1/2	4.464

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B97D3/cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)