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	hartrees
Energy at 0K	-93.302868
Energy at 298.15K	-93.305702
HF Energy	-93.302868
Nuclear repulsion energy	31.891419

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'	3749	3318	8.01	51.20	0.64	0.78
2	A'	3504	3101	6.98	108.19	0.20	0.33
3	A'	3096	2740	64.47	47.10	0.42	0.59
4	A'	1813	1604	7.70	19.50	0.63	0.77
5	A'	1519	1345	16.35	7.67	0.71	0.83
6	A'	1436	1271	10.71	6.25	0.17	0.28
7	A'	1095	969	13.74	5.01	0.54	0.70
8	A"	1198	1060	3.61	0.83	0.75	0.86
9	A"	769	681	170.75	1.22	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.064	0.820
N2	0.064	-0.531
H3	-1.057	1.047
H4	-0.752	-1.201
H5	0.975	-1.047

	C1	N2	H3	H4	H5
C1		1.3509	1.1439	2.1796	2.0773
N2	1.3509		1.9362	1.0562	1.0468
H3	1.1439	1.9362		2.2690	2.9181
H4	2.1796	1.0562	2.2690		1.7342
H5	2.0773	1.0468	2.9181	1.7342

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	129.360		C1	N2	H5	119.535
N2	C1	H3	101.482		H4	N2	H5	111.105

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3PW91/STO-3G

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	-0.076
2	N	-0.343
3	H	0.010
4	H	0.194
5	H	0.213

	x	y	z	Total
	-0.876	-2.912	0.000	3.041
CHELPG
AIM
ESP

	x	y	z
x	1.482	-0.272	0.000
y	-0.272	2.189	0.000
z	0.000	0.000	0.645

<r²>	19.580
(<r²>)^1/2	4.425

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3PW91/STO-3G

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)