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	hartrees
Energy at 0K	-149.146639
Energy at 298.15K	-149.152079
Nuclear repulsion energy	73.000435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3924	3572	44.60
2	A	3798	3458	37.84
3	A	3766	3428	12.69
4	A	3223	2934	45.24
5	A	1870	1702	397.35
6	A	1769	1611	29.66
7	A	1539	1401	36.41
8	A	1428	1300	44.10
9	A	1204	1096	58.08
10	A	1188	1081	46.14
11	A	1152	1049	48.85
12	A	880	801	45.09
13	A	601	547	78.28
14	A	573	522	112.37
15	A	394	359	189.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.127	0.382	-0.003
N2	1.129	-0.143	-0.062
N3	-1.159	-0.327	0.013
H4	-0.138	1.465	-0.006
H5	1.884	0.417	0.250
H6	1.208	-1.118	0.111
H7	-1.986	0.233	0.010

	C1	N2	N3	H4	H5	H6	H7
C1		1.3629	1.2524	1.0828	2.0274	2.0114	1.8653
N2	1.3629		2.2972	2.0483	0.9904	0.9932	3.1390
N3	1.2524	2.2972		2.0622	3.1421	2.4980	0.9985
H4	1.0828	2.0483	2.0622		2.2923	2.9150	2.2211
H5	2.0274	0.9904	3.1421	2.2923		1.6830	3.8823
H6	2.0114	0.9932	2.4980	2.9150	1.6830		3.4696
H7	1.8653	3.1390	0.9985	2.2211	3.8823	3.4696

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	118.113	C1	N2	H6	116.349
C1	N3	H7	111.437	N2	C1	N3	122.835
N2	C1	H4	113.257	N3	C1	H4	123.878
H5	N2	H6	116.089

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: HF/aug-cc-pVTZ

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	-0.147
2	N	-0.290
3	N	-0.578
4	H	0.564
5	H	0.105
6	H	0.185
7	H	0.161

	x	y	z	Total
	1.863	2.039	0.746	2.861
CHELPG
AIM
ESP

	x	y	z
x	5.841	0.328	-0.034
y	0.328	4.225	-0.010
z	-0.034	-0.010	3.352

<r²>	44.158
(<r²>)^1/2	6.645

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: HF/aug-cc-pVTZ

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)