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	hartrees
Energy at 0K	-94.531924
Energy at 298.15K	-94.534837
HF Energy	-94.413854
Nuclear repulsion energy	32.938545

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'	3591	3591	23.44	87.45	0.65	0.79
2	A'	3437	3437	6.51	287.70	0.24	0.39
3	A'	2960	2960	98.26	154.56	0.47	0.64
4	A'	1696	1696	14.86	17.76	0.50	0.67
5	A'	1440	1440	15.07	11.62	0.30	0.46
6	A'	1400	1400	13.57	0.94	0.72	0.84
7	A'	1078	1078	21.93	8.37	0.45	0.63
8	A"	1168	1168	10.88	1.63	0.75	0.86
9	A"	805	805	154.99	0.22	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.785
N2	0.063	-0.523
H3	-0.997	1.093
H4	-0.758	-1.122
H5	0.941	-1.019

	C1	N2	H3	H4	H5
C1		1.3088	1.1030	2.0766	2.0074
N2	1.3088		1.9327	1.0158	1.0091
H3	1.1030	1.9327		2.2282	2.8668
H4	2.0766	1.0158	2.2282		1.7023
H5	2.0074	1.0091	2.8668	1.7023

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.126		C1	N2	H5	119.447
N2	C1	H3	106.202		H4	N2	H5	114.427

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B2PLYP/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	-0.234
2	N	-0.198
3	H	0.059
4	H	0.163
5	H	0.211

	x	y	z	Total
	-1.351	-3.284	0.000	3.551
CHELPG
AIM
ESP

	x	y	z
x	3.348	-0.078	0.000
y	-0.078	4.340	0.001
z	0.000	0.001	2.384

<r²>	19.950
(<r²>)^1/2	4.467

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B2PLYP/Def2TZVPP

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)