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	hartrees
Energy at 0K	-94.485772
Energy at 298.15K	-94.488684
HF Energy	-94.485772
Nuclear repulsion energy	32.686816

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'	3431	3392	8.36	120.61	0.58	0.74
2	A'	3217	3180	70.66	585.82	0.32	0.49
3	A'	2838	2806	111.44	185.72	0.59	0.74
4	A'	1652	1633	4.48	40.25	0.44	0.62
5	A'	1417	1401	8.19	8.03	0.53	0.69
6	A'	1350	1335	18.47	4.14	0.56	0.72
7	A'	1049	1037	30.50	24.93	0.47	0.64
8	A"	1140	1127	10.85	2.03	0.75	0.86
9	A"	832	823	163.10	1.44	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.790
N2	0.063	-0.523
H3	-1.013	1.094
H4	-0.757	-1.152
H5	0.954	-1.023

	C1	N2	H3	H4	H5
C1		1.3130	1.1181	2.1081	2.0206
N2	1.3130		1.9419	1.0333	1.0220
H3	1.1181	1.9419		2.2602	2.8898
H4	2.1081	1.0333	2.2602		1.7156
H5	2.0206	1.0220	2.8898	1.7156

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.509		C1	N2	H5	119.318
N2	C1	H3	105.747		H4	N2	H5	113.172

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBEPBEultrafine/TZVP

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	-0.225
2	N	-0.298
3	H	0.067
4	H	0.199
5	H	0.257

	x	y	z	Total
	-1.303	-3.295	0.000	3.543
CHELPG
AIM
ESP

	x	y	z
x	3.447	0.019	0.000
y	0.019	4.707	0.000
z	0.000	0.000	2.184

<r²>	20.152
(<r²>)^1/2	4.489

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)