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	hartrees
Energy at 0K	-94.555922
Energy at 298.15K	-94.558853
HF Energy	-94.555922
Nuclear repulsion energy	32.258708

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'	3590	3451	12.51	91.04	0.60	0.75
2	A'	3393	3261	23.08	324.85	0.27	0.42
3	A'	2875	2763	143.61	126.10	0.48	0.65
4	A'	1724	1657	15.66	28.43	0.41	0.58
5	A'	1412	1358	38.98	10.58	0.70	0.83
6	A'	1348	1296	23.75	3.36	0.17	0.29
7	A'	1066	1025	34.16	13.27	0.66	0.80
8	A"	1128	1085	23.79	0.26	0.75	0.86
9	A"	918	882	262.72	0.50	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.062	0.804
N2	0.062	-0.539
H3	-1.013	1.131
H4	-0.748	-1.169
H5	0.960	-1.017

	C1	N2	H3	H4	H5
C1		1.3433	1.1232	2.1332	2.0310
N2	1.3433		1.9855	1.0263	1.0174
H3	1.1232	1.9855		2.3147	2.9163
H4	2.1332	1.0263	2.3147		1.7147
H5	2.0310	1.0174	2.9163	1.7147

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.873		C1	N2	H5	118.055
N2	C1	H3	106.883		H4	N2	H5	114.072

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3LYP/LANL2DZ

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	-0.177
2	N	-0.549
3	H	0.106
4	H	0.287
5	H	0.334

	x	y	z	Total
	-1.515	-3.334	0.000	3.662
CHELPG
AIM
ESP

	x	y	z
x	2.704	-0.105	0.000
y	-0.105	4.046	0.000
z	0.000	0.000	1.526

<r²>	20.305
(<r²>)^1/2	4.506

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)