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	hartrees
Energy at 0K	-94.472870
Energy at 298.15K	-94.475785
HF Energy	-94.472870
Nuclear repulsion energy	32.815249

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	23.17	93.72	0.70	0.82
2	A'	3423	3423	12.86	368.73	0.24	0.39
3	A'	2949	2949	99.08	172.68	0.48	0.65
4	A'	1684	1684	18.18	17.26	0.62	0.77
5	A'	1457	1457	12.06	10.26	0.20	0.34
6	A'	1375	1375	15.73	13.18	0.09	0.17
7	A'	1067	1067	23.66	12.23	0.23	0.38
8	A"	1149	1149	10.79	0.21	0.75	0.86
9	A"	811	811	146.79	0.34	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.787
N2	0.063	-0.524
H3	-1.009	1.098
H4	-0.759	-1.129
H5	0.947	-1.021

	C1	N2	H3	H4	H5
C1		1.3107	1.1158	2.0853	2.0126
N2	1.3107		1.9437	1.0214	1.0144
H3	1.1158	1.9437		2.2409	2.8835
H4	2.0853	1.0214	2.2409		1.7101
H5	2.0126	1.0144	2.8835	1.7101

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.357		C1	N2	H5	119.355
N2	C1	H3	106.173		H4	N2	H5	114.288

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBE1PBE/daug-cc-pVDZ

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	-0.002
2	N	0.207
3	H	-0.233
4	H	0.036
5	H	-0.008

	x	y	z	Total
	-1.327	-3.238	0.000	3.500
CHELPG
AIM
ESP

	x	y	z
x	3.853	0.101	0.000
y	0.101	4.860	0.000
z	0.000	0.000	3.011

<r²>	20.073
(<r²>)^1/2	4.480

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBE1PBE/daug-cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)