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	hartrees
Energy at 0K	-94.551897
Energy at 298.15K	-94.554809
HF Energy	-94.551897
Nuclear repulsion energy	32.772551

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'	3560	3434	19.69	95.73	0.69	0.81
2	A'	3394	3273	17.43	382.41	0.24	0.39
3	A'	2933	2829	100.90	172.81	0.51	0.67
4	A'	1680	1621	15.98	18.28	0.61	0.76
5	A'	1445	1394	12.39	10.42	0.20	0.33
6	A'	1371	1322	15.22	9.45	0.14	0.25
7	A'	1065	1027	24.12	11.62	0.30	0.46
8	A"	1146	1106	11.66	0.41	0.75	0.86
9	A"	809	781	148.10	0.41	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.788
N2	0.063	-0.525
H3	-1.010	1.099
H4	-0.759	-1.133
H5	0.948	-1.023

	C1	N2	H3	H4	H5
C1		1.3125	1.1169	2.0892	2.0153
N2	1.3125		1.9461	1.0228	1.0154
H3	1.1169	1.9461		2.2457	2.8869
H4	2.0892	1.0228	2.2457		1.7108
H5	2.0153	1.0154	2.8869	1.7108

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.471		C1	N2	H5	119.382
N2	C1	H3	106.178		H4	N2	H5	114.147

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3PW91/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	-0.017
2	N	0.188
3	H	-0.149
4	H	-0.052
5	H	0.029

	x	y	z	Total
	-1.322	-3.234	0.000	3.494
CHELPG
AIM
ESP

	x	y	z
x	3.783	0.096	0.000
y	0.096	4.824	0.000
z	0.000	0.000	2.894

<r²>	20.083
(<r²>)^1/2	4.481

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)