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	hartrees
Energy at 0K	-93.926110
Energy at 298.15K	-93.929054
HF Energy	-93.926110
Nuclear repulsion energy	32.517078

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'	3510	3369	11.64	102.84	0.53	0.70
2	A'	3313	3180	25.02	295.93	0.30	0.46
3	A'	2821	2707	140.83	123.35	0.47	0.64
4	A'	1754	1683	8.35	33.03	0.43	0.60
5	A'	1450	1392	31.25	11.25	0.73	0.84
6	A'	1362	1307	11.90	2.95	0.29	0.45
7	A'	1093	1049	30.19	13.74	0.62	0.76
8	A"	1166	1119	12.00	0.83	0.75	0.86
9	A"	918	881	255.41	1.49	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.796
N2	0.063	-0.529
H3	-1.018	1.104
H4	-0.751	-1.160
H5	0.956	-1.020

	C1	N2	H3	H4	H5
C1		1.3250	1.1234	2.1181	2.0240
N2	1.3250		1.9578	1.0291	1.0193
H3	1.1234	1.9578		2.2791	2.8993
H4	2.1181	1.0291	2.2791		1.7120
H5	2.0240	1.0193	2.8993	1.7120

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.797		C1	N2	H5	118.809
N2	C1	H3	105.894		H4	N2	H5	113.394

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBE1PBE/3-21G*

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	-0.077
2	N	-0.724
3	H	0.140
4	H	0.313
5	H	0.348

	x	y	z	Total
	-1.318	-3.298	0.000	3.552
CHELPG
AIM
ESP

	x	y	z
x	2.514	-0.293	0.000
y	-0.293	3.436	0.000
z	0.000	0.000	1.194

<r²>	19.896
(<r²>)^1/2	4.460

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBE1PBE/3-21G*

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)