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	hartrees
Energy at 0K	-149.149579
Energy at 298.15K	-149.155029
HF Energy	-149.149579
Nuclear repulsion energy	73.022352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3925	3558	42.05
2	A	3802	3446	36.53
3	A	3768	3416	9.92
4	A	3221	2919	50.70
5	A	1878	1702	369.37
6	A	1770	1604	33.05
7	A	1543	1399	38.61
8	A	1431	1297	40.44
9	A	1207	1094	51.45
10	A	1190	1079	48.48
11	A	1153	1045	51.94
12	A	882	799	40.93
13	A	605	548	113.66
14	A	581	526	107.83
15	A	405	367	180.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.126	0.410	0.001
N2	-1.142	-0.166	0.014
N3	1.149	-0.326	-0.011
H4	0.177	1.462	-0.014
H5	-1.878	0.485	-0.046
H6	-1.097	-1.151	-0.019
H7	1.995	0.190	0.048

	C1	N2	N3	H4	H5	H6	H7
C1		1.3924	1.2606	1.0542	2.0060	1.9828	1.8829
N2	1.3924		2.2970	2.0959	0.9840	0.9868	3.1576
N3	1.2606	2.2970		2.0357	3.1343	2.3930	0.9928
H4	1.0542	2.0959	2.0357		2.2767	2.9077	2.2199
H5	2.0060	0.9840	3.1343	2.2767		1.8124	3.8858
H6	1.9828	0.9868	2.3930	2.9077	1.8124		3.3713
H7	1.8829	3.1576	0.9928	2.2199	3.8858	3.3713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	114.056	C1	N2	H6	111.771
C1	N3	H7	112.822	N2	C1	N3	119.875
N2	C1	H4	117.222	N3	C1	H4	122.896
H5	N2	H6	133.754

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: HF/Def2TZVPP

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	0.263
2	N	-0.379
3	N	-0.449
4	H	0.040
5	H	0.174
6	H	0.195
7	H	0.155

	x	y	z	Total
	-1.818	2.051	-0.779	2.849
CHELPG
AIM
ESP

	x	y	z
x	5.444	-0.363	0.005
y	-0.363	3.879	0.007
z	0.005	0.007	2.787

<r²>	44.023
(<r²>)^1/2	6.635

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)