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	hartrees
Energy at 0K	-94.461079
Energy at 298.15K	-94.463983
HF Energy	-94.461079
Nuclear repulsion energy	32.773812

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'	3567	3429	17.83	105.36	0.62	0.76
2	A'	3393	3263	17.78	312.25	0.27	0.43
3	A'	2926	2814	121.38	165.95	0.45	0.62
4	A'	1665	1601	9.60	22.59	0.48	0.65
5	A'	1466	1410	7.99	8.96	0.35	0.51
6	A'	1377	1324	16.64	4.48	0.68	0.81
7	A'	1060	1020	24.34	9.49	0.50	0.67
8	A"	1160	1116	11.69	1.11	0.75	0.86
9	A"	784	754	148.90	0.94	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.788
N2	0.063	-0.522
H3	-1.017	1.089
H4	-0.754	-1.142
H5	0.951	-1.022

	C1	N2	H3	H4	H5
C1		1.3101	1.1208	2.0962	2.0156
N2	1.3101		1.9393	1.0260	1.0184
H3	1.1208	1.9393		2.2465	2.8852
H4	2.0962	1.0260	2.2465		1.7091
H5	2.0156	1.0184	2.8852	1.7091

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.189		C1	N2	H5	119.378
N2	C1	H3	105.570		H4	N2	H5	113.433

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBE1PBE/cc-pVDZ

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	-0.221
2	N	-0.040
3	H	0.034
4	H	0.097
5	H	0.130

	x	y	z	Total
	-1.235	-3.253	0.000	3.479
CHELPG
AIM
ESP

	x	y	z
x	2.862	-0.218	0.000
y	-0.218	3.788	0.000
z	0.000	0.000	1.606

<r²>	19.730
(<r²>)^1/2	4.442

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)