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	hartrees
Energy at 0K	-94.447957
Energy at 298.15K	-94.450847
HF Energy	-94.447957
Nuclear repulsion energy	32.534084

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'	3441	3394	3.47	124.75	0.50	0.67
2	A'	3201	3157	81.58	450.52	0.31	0.48
3	A'	2810	2771	135.84	136.05	0.52	0.69
4	A'	1649	1626	1.78	40.71	0.41	0.58
5	A'	1415	1395	8.63	8.25	0.59	0.74
6	A'	1344	1326	16.07	3.71	0.73	0.84
7	A'	1036	1022	33.42	21.54	0.49	0.66
8	A"	1135	1120	10.45	1.34	0.75	0.86
9	A"	787	776	165.14	1.91	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.796
N2	0.063	-0.524
H3	-1.025	1.085
H4	-0.747	-1.172
H5	0.959	-1.020

	C1	N2	H3	H4	H5
C1		1.3206	1.1252	2.1280	2.0255
N2	1.3206		1.9422	1.0364	1.0241
H3	1.1252	1.9422		2.2736	2.8923
H4	2.1280	1.0364	2.2736		1.7121
H5	2.0255	1.0241	2.8923	1.7121

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	128.658		C1	N2	H5	118.958
N2	C1	H3	104.853		H4	N2	H5	112.385

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBEPBEultrafine/6-31G**

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	-0.131
2	N	-0.471
3	H	0.066
4	H	0.247
5	H	0.289

	x	y	z	Total
	-1.063	-3.184	0.000	3.357
CHELPG
AIM
ESP

	x	y	z
x	2.924	-0.166	0.000
y	-0.166	4.023	0.000
z	0.000	0.000	1.459

<r²>	19.862
(<r²>)^1/2	4.457

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBEPBEultrafine/6-31G**

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)