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	hartrees
Energy at 0K	-94.453012
Energy at 298.15K	-94.455905
HF Energy	-94.453012
Nuclear repulsion energy	32.611791

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'	3440	3404	4.87	110.42	0.50	0.67
2	A'	3228	3195	58.18	386.82	0.30	0.47
3	A'	2823	2794	111.88	126.37	0.50	0.66
4	A'	1637	1620	2.00	35.99	0.41	0.58
5	A'	1417	1402	7.72	8.52	0.48	0.65
6	A'	1346	1332	11.55	3.11	0.73	0.84
7	A'	1036	1025	30.11	16.72	0.48	0.65
8	A"	1136	1124	9.17	1.11	0.75	0.86
9	A"	789	781	130.91	1.56	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.794
N2	0.063	-0.523
H3	-1.023	1.084
H4	-0.748	-1.163
H5	0.954	-1.023

	C1	N2	H3	H4	H5
C1		1.3172	1.1240	2.1182	2.0242
N2	1.3172		1.9399	1.0330	1.0223
H3	1.1240	1.9399		2.2638	2.8901
H4	2.1182	1.0330	2.2638		1.7085
H5	2.0242	1.0223	2.8901	1.7085

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	128.254		C1	N2	H5	119.290
N2	C1	H3	104.970		H4	N2	H5	112.457

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBEPBEultrafine/6-31G(2df,p)

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	-0.298
2	N	-0.308
3	H	0.095
4	H	0.240
5	H	0.271

	x	y	z	Total
	-1.033	-3.196	0.000	3.358
CHELPG
AIM
ESP

	x	y	z
x	2.993	-0.183	0.000
y	-0.183	4.037	0.000
z	0.000	0.000	1.753

<r²>	19.816
(<r²>)^1/2	4.452

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBEPBEultrafine/6-31G(2df,p)

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)