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	hartrees
Energy at 0K	-94.557104
Energy at 298.15K	-94.560000
HF Energy	-94.557104
Nuclear repulsion energy	32.779866

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'	3465	3417	8.90	107.84	0.59	0.74
2	A'	3266	3221	56.25	498.49	0.30	0.46
3	A'	2845	2806	116.44	174.04	0.54	0.70
4	A'	1655	1633	5.50	33.29	0.45	0.62
5	A'	1406	1387	13.10	8.93	0.38	0.55
6	A'	1352	1333	11.32	1.84	0.58	0.74
7	A'	1052	1038	27.95	18.16	0.43	0.60
8	A"	1139	1124	10.09	1.90	0.75	0.86
9	A"	786	775	140.36	0.75	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.789
N2	0.063	-0.523
H3	-1.007	1.096
H4	-0.756	-1.141
H5	0.947	-1.023

	C1	N2	H3	H4	H5
C1		1.3120	1.1135	2.0959	2.0159
N2	1.3120		1.9410	1.0254	1.0155
H3	1.1135	1.9410		2.2508	2.8825
H4	2.0959	1.0254	2.2508		1.7066
H5	2.0159	1.0155	2.8825	1.7066

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.025		C1	N2	H5	119.483
N2	C1	H3	106.021		H4	N2	H5	113.491

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B97D3/Def2TZVPP

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	-0.250
2	N	-0.157
3	H	0.049
4	H	0.150
5	H	0.207

	x	y	z	Total
	-1.258	-3.239	0.000	3.475
CHELPG
AIM
ESP

	x	y	z
x	3.555	0.008	0.000
y	0.008	4.663	0.000
z	0.000	0.000	2.420

<r²>	20.022
(<r²>)^1/2	4.475

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B97D3/Def2TZVPP

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)