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	hartrees
Energy at 0K	-150.066550
Energy at 298.15K	-150.071794
HF Energy	-150.066550
Nuclear repulsion energy	72.211518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3709	3581	35.83
2	A	3579	3455	28.72
3	A	3517	3395	4.82
4	A	3035	2930	61.53
5	A	1726	1667	314.07
6	A	1627	1571	31.35
7	A	1414	1365	31.09
8	A	1330	1284	31.77
9	A	1105	1067	135.19
10	A	1089	1052	1.56
11	A	1052	1016	0.38
12	A	800	772	53.15
13	A	565	546	66.58
14	A	534	515	71.98
15	A	326	315	207.63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.124	0.391	-0.001
N2	1.133	-0.148	-0.053
N3	-1.172	-0.330	0.012
H4	-0.116	1.486	-0.008
H5	1.922	0.414	0.214
H6	1.210	-1.143	0.089
H7	-2.009	0.244	0.001

	C1	N2	N3	H4	H5	H6	H7
C1		1.3683	1.2723	1.0955	2.0574	2.0348	1.8912
N2	1.3683		2.3131	2.0571	1.0048	1.0085	3.1671
N3	1.2723	2.3131		2.1012	3.1887	2.5180	1.0154
H4	1.0955	2.0571	2.1012		2.3138	2.9464	2.2644
H5	2.0574	1.0048	3.1887	2.3138		1.7168	3.9409
H6	2.0348	1.0085	2.5180	2.9464	1.7168		3.5065
H7	1.8912	3.1671	1.0154	2.2644	3.9409	3.5065

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	119.425	C1	N2	H6	116.948
C1	N3	H7	111.021	N2	C1	N3	122.280
N2	C1	H4	112.753	N3	C1	H4	124.935
H5	N2	H6	117.021

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: B3LYP/TZVP

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	0.008
2	N	-0.360
3	N	-0.346
4	H	0.067
5	H	0.225
6	H	0.232
7	H	0.175

	x	y	z	Total
	1.919	1.906	0.619	2.775
CHELPG
AIM
ESP

	x	y	z
x	5.944	0.323	0.001
y	0.323	4.133	-0.009
z	0.001	-0.009	2.686

<r²>	44.768
(<r²>)^1/2	6.691

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: B3LYP/TZVP

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)