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	hartrees
Energy at 0K	-94.491020
Energy at 298.15K	-94.493915
HF Energy	-94.491020
Nuclear repulsion energy	32.729595

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'	3434	3392	9.22	113.42	0.58	0.74
2	A'	3232	3193	63.10	539.24	0.30	0.47
3	A'	2840	2806	102.83	173.20	0.55	0.71
4	A'	1633	1613	5.05	35.62	0.45	0.62
5	A'	1415	1398	6.60	8.00	0.41	0.58
6	A'	1339	1323	15.17	3.46	0.45	0.62
7	A'	1038	1026	30.09	20.80	0.42	0.60
8	A"	1133	1120	10.71	1.83	0.75	0.86
9	A"	795	785	137.45	0.99	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.789
N2	0.063	-0.523
H3	-1.010	1.098
H4	-0.759	-1.146
H5	0.952	-1.024

	C1	N2	H3	H4	H5
C1		1.3112	1.1168	2.1016	2.0191
N2	1.3112		1.9435	1.0311	1.0207
H3	1.1168	1.9435		2.2576	2.8901
H4	2.1016	1.0311	2.2576		1.7149
H5	2.0191	1.0207	2.8901	1.7149

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.182		C1	N2	H5	119.430
N2	C1	H3	106.069		H4	N2	H5	113.387

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBEPBE/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	-0.272
2	N	-0.162
3	H	0.061
4	H	0.157
5	H	0.216

	x	y	z	Total
	-1.258	-3.279	0.000	3.512
CHELPG
AIM
ESP

	x	y	z
x	3.589	0.022	0.000
y	0.022	4.730	0.000
z	0.000	0.000	2.421

<r²>	20.108
(<r²>)^1/2	4.484

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)