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	hartrees
Energy at 0K	-94.564376
Energy at 298.15K	-94.567294
HF Energy	-94.564376
Nuclear repulsion energy	33.056924

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'	3586	3586	18.61	96.16	0.64	0.78
2	A'	3435	3435	11.77	309.47	0.25	0.40
3	A'	2944	2944	100.97	158.23	0.48	0.65
4	A'	1693	1693	15.04	20.12	0.49	0.66
5	A'	1463	1463	11.24	8.53	0.29	0.44
6	A'	1393	1393	17.36	2.60	0.62	0.76
7	A'	1075	1075	22.86	9.18	0.45	0.62
8	A"	1165	1165	10.50	1.80	0.75	0.86
9	A"	820	820	150.87	0.35	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.781
N2	0.063	-0.520
H3	-0.998	1.089
H4	-0.755	-1.122
H5	0.940	-1.017

	C1	N2	H3	H4	H5
C1		1.3010	1.1046	2.0712	2.0008
N2	1.3010		1.9269	1.0151	1.0085
H3	1.1046	1.9269		2.2241	2.8621
H4	2.0712	1.0151	2.2241		1.6980
H5	2.0008	1.0085	2.8621	1.6980

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.382		C1	N2	H5	119.533
N2	C1	H3	106.169		H4	N2	H5	114.085

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B1B95/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	-0.237
2	N	-0.203
3	H	0.061
4	H	0.166
5	H	0.213

	x	y	z	Total
	-1.318	-3.270	0.000	3.526
CHELPG
AIM
ESP

	x	y	z
x	3.368	-0.072	0.000
y	-0.072	4.323	0.000
z	0.000	0.000	2.356

<r²>	19.764
(<r²>)^1/2	4.446

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B1B95/Def2TZVPP

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)