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	hartrees
Energy at 0K	-94.496334
Energy at 298.15K	-94.499251
HF Energy	-94.496334
Nuclear repulsion energy	33.004178

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'	3581	3581	18.83	95.90	0.64	0.78
2	A'	3428	3428	13.30	318.91	0.25	0.40
3	A'	2943	2943	96.38	156.71	0.48	0.65
4	A'	1691	1691	14.64	20.69	0.49	0.66
5	A'	1466	1466	10.11	8.21	0.28	0.44
6	A'	1389	1389	17.61	2.68	0.59	0.74
7	A'	1074	1074	24.23	9.69	0.45	0.62
8	A"	1164	1164	10.88	1.72	0.75	0.86
9	A"	816	816	152.12	0.36	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.782
N2	0.063	-0.520
H3	-1.000	1.094
H4	-0.756	-1.124
H5	0.942	-1.018

	C1	N2	H3	H4	H5
C1		1.3022	1.1074	2.0747	2.0036
N2	1.3022		1.9325	1.0177	1.0108
H3	1.1074	1.9325		2.2315	2.8694
H4	2.0747	1.0177	2.2315		1.7019
H5	2.0036	1.0108	2.8694	1.7019

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.408		C1	N2	H5	119.522
N2	C1	H3	106.363		H4	N2	H5	114.071

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBE1PBE/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	-0.245
2	N	-0.207
3	H	0.055
4	H	0.173
5	H	0.224

	x	y	z	Total
	-1.341	-3.278	0.000	3.541
CHELPG
AIM
ESP

	x	y	z
x	3.379	-0.062	0.000
y	-0.062	4.357	0.000
z	0.000	0.000	2.372

<r²>	19.822
(<r²>)^1/2	4.452

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBE1PBE/Def2TZVPP

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)