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	hartrees
Energy at 0K	-94.461084
Energy at 298.15K	-94.463997
HF Energy	-94.461084
Nuclear repulsion energy	32.892494

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'	3594	3439	13.88	93.43	0.59	0.74
2	A'	3439	3291	11.30	246.26	0.25	0.40
3	A'	2929	2803	105.49	120.60	0.43	0.60
4	A'	1692	1619	9.75	22.76	0.45	0.62
5	A'	1465	1402	11.03	8.59	0.33	0.49
6	A'	1396	1336	14.79	5.14	0.69	0.81
7	A'	1072	1026	24.01	8.65	0.52	0.68
8	A"	1166	1116	9.54	1.01	0.75	0.86
9	A"	808	773	149.20	0.81	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.787
N2	0.063	-0.521
H3	-1.011	1.082
H4	-0.748	-1.137
H5	0.945	-1.017

	C1	N2	H3	H4	H5
C1		1.3081	1.1138	2.0882	2.0081
N2	1.3081		1.9299	1.0186	1.0120
H3	1.1138	1.9299		2.2351	2.8694
H4	2.0882	1.0186	2.2351		1.6975
H5	2.0081	1.0120	2.8694	1.6975

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.219		C1	N2	H5	119.342
N2	C1	H3	105.383		H4	N2	H5	113.439

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBE1PBE/6-31G(2df,p)

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	-0.296
2	N	-0.370
3	H	0.109
4	H	0.267
5	H	0.290

	x	y	z	Total
	-1.135	-3.200	0.000	3.396
CHELPG
AIM
ESP

	x	y	z
x	2.847	-0.243	0.000
y	-0.243	3.758	0.000
z	0.000	0.000	1.751

<r²>	19.569
(<r²>)^1/2	4.424

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBE1PBE/6-31G(2df,p)

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)