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	hartrees
Energy at 0K	-94.581407
Energy at 298.15K	-94.584299
HF Energy	-94.581407
Nuclear repulsion energy	32.676786

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'	3414	3414	8.60	112.27	0.58	0.73
2	A'	3208	3208	67.05	557.78	0.31	0.47
3	A'	2831	2831	109.15	179.25	0.56	0.72
4	A'	1642	1642	4.90	36.96	0.43	0.61
5	A'	1396	1396	12.86	9.01	0.42	0.59
6	A'	1342	1342	9.27	2.77	0.55	0.71
7	A'	1045	1045	29.64	21.97	0.42	0.59
8	A"	1132	1132	10.64	1.84	0.75	0.86
9	A"	785	785	139.11	1.03	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.791
N2	0.063	-0.525
H3	-1.006	1.103
H4	-0.760	-1.146
H5	0.950	-1.028

	C1	N2	H3	H4	H5
C1		1.3154	1.1137	2.1043	2.0235
N2	1.3154		1.9475	1.0310	1.0202
H3	1.1137	1.9475		2.2630	2.8929
H4	2.1043	1.0310	2.2630		1.7141
H5	2.0235	1.0202	2.8929	1.7141

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.073		C1	N2	H5	119.552
N2	C1	H3	106.302		H4	N2	H5	113.375

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: BLYP/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	-0.276
2	N	-0.128
3	H	0.075
4	H	0.136
5	H	0.193

	x	y	z	Total
	-1.256	-3.231	0.000	3.467
CHELPG
AIM
ESP

	x	y	z
x	3.597	0.023	0.000
y	0.023	4.761	0.000
z	0.000	0.000	2.433

<r²>	20.224
(<r²>)^1/2	4.497

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: BLYP/Def2TZVPP

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)