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	hartrees
Energy at 0K	-94.556102
Energy at 298.15K	-94.559032
HF Energy	-94.556102
Nuclear repulsion energy	32.254609

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	3452	12.35	90.73	0.60	0.75
2	A'	3392	3261	23.19	325.36	0.27	0.42
3	A'	2875	2764	144.69	125.85	0.48	0.65
4	A'	1723	1657	15.52	28.53	0.41	0.58
5	A'	1412	1357	39.07	10.55	0.71	0.83
6	A'	1347	1295	23.95	3.38	0.16	0.28
7	A'	1066	1024	34.08	13.25	0.66	0.80
8	A"	1128	1085	23.62	0.26	0.75	0.86
9	A"	917	881	261.55	0.50	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.062	0.805
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		1.3435	1.1233	2.1335	2.0312
N2	1.3435		1.9858	1.0264	1.0174
H3	1.1233	1.9858		2.3151	2.9165
H4	2.1335	1.0264	2.3151		1.7148
H5	2.0312	1.0174	2.9165	1.7148

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.877		C1	N2	H5	118.050
N2	C1	H3	106.880		H4	N2	H5	114.074

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3LYP/SDD

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	-0.175
2	N	-0.547
3	H	0.103
4	H	0.286
5	H	0.333

	x	y	z	Total
	-1.514	-3.333	0.000	3.661
CHELPG
AIM
ESP

	x	y	z
x	2.708	-0.104	0.000
y	-0.104	4.053	0.000
z	0.000	0.000	1.537

<r²>	20.309
(<r²>)^1/2	4.507

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)