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	hartrees
Energy at 0K	-94.553575
Energy at 298.15K	-94.556467
HF Energy	-94.553575
Nuclear repulsion energy	32.463683

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'	3415	3408	13.72	110.81	0.69	0.81
2	A'	3201	3195	67.38	679.14	0.29	0.45
3	A'	2827	2821	110.96	218.20	0.62	0.76
4	A'	1633	1630	6.93	31.82	0.56	0.72
5	A'	1384	1382	12.85	13.50	0.14	0.24
6	A'	1325	1322	9.86	24.48	0.27	0.43
7	A'	1036	1034	29.06	25.32	0.32	0.48
8	A"	1116	1114	11.22	0.54	0.75	0.86
9	A"	790	788	137.74	1.10	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.796
N2	0.063	-0.529
H3	-1.017	1.109
H4	-0.763	-1.152
H5	0.956	-1.031

	C1	N2	H3	H4	H5
C1		1.3249	1.1246	2.1163	2.0337
N2	1.3249		1.9620	1.0352	1.0242
H3	1.1246	1.9620		2.2752	2.9107
H4	2.1163	1.0352	2.2752		1.7234
H5	2.0337	1.0242	2.9107	1.7234

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.015		C1	N2	H5	119.371
N2	C1	H3	106.152		H4	N2	H5	113.614

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: BLYP/aug-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	0.074
2	N	0.397
3	H	-0.293
4	H	-0.134
5	H	-0.044

	x	y	z	Total
	-1.255	-3.183	0.000	3.422
CHELPG
AIM
ESP

	x	y	z
x	4.131	0.240	0.000
y	0.240	5.378	0.000
z	0.000	0.000	3.053

<r²>	20.542
(<r²>)^1/2	4.532

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)