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	hartrees
Energy at 0K	-94.473803
Energy at 298.15K	-94.476703
HF Energy	-94.376819
Nuclear repulsion energy	32.673372

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'	3574	3423	19.53	98.29	0.63	0.77
2	A'	3403	3259	11.07	279.54	0.26	0.41
3	A'	2933	2809	130.88	163.61	0.44	0.61
4	A'	1670	1599	9.43	19.80	0.49	0.66
5	A'	1442	1381	10.94	11.18	0.37	0.54
6	A'	1390	1332	13.86	4.05	0.53	0.69
7	A'	1065	1019	21.64	8.36	0.50	0.67
8	A"	1164	1115	11.38	1.07	0.75	0.86
9	A"	773	740	149.31	0.80	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.792
N2	0.063	-0.525
H3	-1.016	1.089
H4	-0.757	-1.141
H5	0.951	-1.024

	C1	N2	H3	H4	H5
C1		1.3175	1.1195	2.1002	2.0216
N2	1.3175		1.9422	1.0255	1.0181
H3	1.1195	1.9422		2.2458	2.8871
H4	2.1002	1.0255	2.2458		1.7114
H5	2.0216	1.0181	2.8871	1.7114

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.926		C1	N2	H5	119.336
N2	C1	H3	105.392		H4	N2	H5	113.738

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B2PLYP/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	-0.203
2	N	-0.027
3	H	0.015
4	H	0.092
5	H	0.124

	x	y	z	Total
	-1.225	-3.269	0.000	3.491
CHELPG
AIM
ESP

	x	y	z
x	2.843	-0.235	0.000
y	-0.235	3.768	-0.000
z	0.000	-0.000	1.590

<r²>	19.867
(<r²>)^1/2	4.457

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)