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	hartrees
Energy at 0K	-94.580791
Energy at 298.15K	-94.583724
HF Energy	-94.580791
Nuclear repulsion energy	32.982343

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'	3585	3420	16.93	100.19	0.63	0.77
2	A'	3426	3268	14.31	331.14	0.28	0.43
3	A'	2950	2814	104.84	164.32	0.51	0.68
4	A'	1714	1635	13.48	23.98	0.48	0.65
5	A'	1465	1397	12.14	7.45	0.37	0.54
6	A'	1406	1342	22.50	3.73	0.74	0.85
7	A'	1088	1038	23.45	10.90	0.52	0.68
8	A"	1172	1118	10.50	1.99	0.75	0.86
9	A"	851	812	179.11	0.51	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.062	0.783
N2	0.062	-0.520
H3	-1.001	1.090
H4	-0.754	-1.129
H5	0.943	-1.017

	C1	N2	H3	H4	H5
C1		1.3036	1.1068	2.0791	2.0042
N2	1.3036		1.9301	1.0183	1.0109
H3	1.1068	1.9301		2.2329	2.8671
H4	2.0791	1.0183	2.2329		1.7006
H5	2.0042	1.0109	2.8671	1.7006

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.688		C1	N2	H5	119.443
N2	C1	H3	106.110		H4	N2	H5	113.869

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: mPW1PW91/TZVP

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	-0.198
2	N	-0.330
3	H	0.056
4	H	0.211
5	H	0.261

	x	y	z	Total
	-1.392	-3.284	0.000	3.566
CHELPG
AIM
ESP

	x	y	z
x	3.208	-0.075	0.000
y	-0.075	4.290	0.000
z	0.000	0.000	2.130

<r²>	19.828
(<r²>)^1/2	4.453

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: mPW1PW91/TZVP

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)