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	hartrees
Energy at 0K	-94.528662
Energy at 298.15K	-94.531568
HF Energy	-94.528662
Nuclear repulsion energy	32.817179

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'	3568	3429	16.68	105.70	0.62	0.76
2	A'	3396	3265	16.65	304.10	0.27	0.42
3	A'	2922	2809	126.27	165.50	0.45	0.62
4	A'	1665	1601	9.74	21.94	0.49	0.65
5	A'	1464	1407	8.65	9.31	0.35	0.51
6	A'	1380	1326	16.23	4.56	0.68	0.81
7	A'	1060	1018	22.91	9.25	0.50	0.66
8	A"	1161	1116	11.13	1.11	0.75	0.86
9	A"	789	758	145.87	0.97	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.788
N2	0.063	-0.521
H3	-1.016	1.085
H4	-0.753	-1.141
H5	0.949	-1.021

	C1	N2	H3	H4	H5
C1		1.3088	1.1190	2.0935	2.0137
N2	1.3088		1.9349	1.0241	1.0168
H3	1.1190	1.9349		2.2411	2.8798
H4	2.0935	1.0241	2.2411		1.7053
H5	2.0137	1.0168	2.8798	1.7053

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.210		C1	N2	H5	119.439
N2	C1	H3	105.415		H4	N2	H5	113.350

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B1B95/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	-0.208
2	N	-0.031
3	H	0.021
4	H	0.093
5	H	0.125

	x	y	z	Total
	-1.206	-3.245	0.000	3.462
CHELPG
AIM
ESP

	x	y	z
x	2.855	-0.225	0.000
y	-0.225	3.760	0.000
z	0.000	0.000	1.593

<r²>	19.674
(<r²>)^1/2	4.435

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)