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	hartrees
Energy at 0K	-149.959062
Energy at 298.15K	-149.964430
Nuclear repulsion energy	72.202818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3735	3542	27.92
2	A	3611	3424	22.65
3	A	3552	3368	0.37
4	A	3090	2930	65.29
5	A	1787	1695	266.54
6	A	1662	1576	35.92
7	A	1445	1371	28.83
8	A	1362	1292	25.82
9	A	1133	1075	117.80
10	A	1119	1062	2.42
11	A	1063	1008	2.70
12	A	820	777	29.70
13	A	605	574	254.13
14	A	554	526	28.80
15	A	410	389	151.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.122	0.393	-0.003
N2	1.135	-0.146	-0.073
N3	-1.169	-0.333	0.017
H4	-0.110	1.490	-0.013
H5	1.898	0.392	0.305
H6	1.180	-1.139	0.112
H7	-1.999	0.254	-0.002

	C1	N2	N3	H4	H5	H6	H7
C1		1.3703	1.2740	1.0972	2.0435	2.0141	1.8819
N2	1.3703		2.3136	2.0576	1.0072	1.0106	3.1606
N3	1.2740	2.3136		2.1084	3.1645	2.4852	1.0169
H4	1.0972	2.0576	2.1084		2.3108	2.9315	2.2572
H5	2.0435	1.0072	3.1645	2.3108		1.7023	3.9115
H6	2.0141	1.0106	2.4852	2.9315	1.7023		3.4728
H7	1.8819	3.1606	1.0169	2.2572	3.9115	3.4728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	117.715	C1	N2	H6	114.710
C1	N3	H7	109.959	N2	C1	N3	122.035
N2	C1	H4	112.533	N3	C1	H4	125.376
H5	N2	H6	115.053

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: mPW1PW91/6-31G*

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	0.198
2	N	-0.741
3	N	-0.613
4	H	0.148
5	H	0.346
6	H	0.356
7	H	0.305

	x	y	z	Total
	1.737	1.786	0.899	2.649
CHELPG
AIM
ESP

	x	y	z
x	5.361	0.224	0.029
y	0.224	3.559	0.001
z	0.029	0.001	1.672

<r²>	44.234
(<r²>)^1/2	6.651

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: mPW1PW91/6-31G*

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)