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	hartrees
Energy at 0K	-94.586416
Energy at 298.15K	-94.589334
HF Energy	-94.586416
Nuclear repulsion energy	33.024859

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'	3587	3587	18.28	93.95	0.64	0.78
2	A'	3436	3436	12.71	307.00	0.25	0.40
3	A'	2949	2949	96.20	154.52	0.48	0.64
4	A'	1696	1696	14.83	19.99	0.49	0.66
5	A'	1464	1464	11.08	8.30	0.28	0.44
6	A'	1393	1393	17.20	2.51	0.60	0.75
7	A'	1077	1077	24.02	9.29	0.45	0.62
8	A"	1166	1166	10.78	1.67	0.75	0.86
9	A"	817	817	152.10	0.34	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.782
N2	0.063	-0.520
H3	-0.998	1.094
H4	-0.756	-1.123
H5	0.941	-1.018

	C1	N2	H3	H4	H5
C1		1.3019	1.1057	2.0731	2.0026
N2	1.3019		1.9315	1.0164	1.0096
H3	1.1057	1.9315		2.2303	2.8672
H4	2.0731	1.0164	2.2303		1.6999
H5	2.0026	1.0096	2.8672	1.6999

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.380		C1	N2	H5	119.548
N2	C1	H3	106.410		H4	N2	H5	114.071

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: mPW1PW91/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	-0.249
2	N	-0.180
3	H	0.055
4	H	0.162
5	H	0.212

	x	y	z	Total
	-1.341	-3.265	0.000	3.530
CHELPG
AIM
ESP

	x	y	z
x	3.357	-0.061	0.000
y	-0.061	4.334	0.000
z	0.000	0.000	2.367

<r²>	19.783
(<r²>)^1/2	4.448

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: mPW1PW91/Def2TZVPP

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)