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	hartrees
Energy at 0K	-150.025507
Energy at 298.15K	-150.030815
Nuclear repulsion energy	72.475212

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3749	3596	34.92
2	A	3617	3470	25.78
3	A	3565	3420	4.64
4	A	3057	2933	57.70
5	A	1757	1686	290.14
6	A	1628	1562	32.93
7	A	1419	1361	26.87
8	A	1340	1285	29.02
9	A	1119	1074	123.89
10	A	1098	1054	4.81
11	A	1058	1015	0.52
12	A	810	777	41.12
13	A	575	552	92.31
14	A	536	514	52.81
15	A	367	352	181.64

Atom	x (Å)	y (Å)	z (Å)
C1	-0.122	0.389	-0.002
N2	1.130	-0.147	-0.061
N3	-1.167	-0.330	0.013
H4	-0.116	1.483	-0.007
H5	1.904	0.411	0.245
H6	1.197	-1.136	0.106
H7	-1.996	0.250	0.003

	C1	N2	N3	H4	H5	H6	H7
C1		1.3636	1.2680	1.0943	2.0416	2.0194	1.8790
N2	1.3636		2.3053	2.0525	1.0019	1.0055	3.1521
N3	1.2680	2.3053		2.0959	3.1674	2.4991	1.0124
H4	1.0943	2.0525	2.0959		2.3009	2.9321	2.2487
H5	2.0416	1.0019	3.1674	2.3009		1.7063	3.9111
H6	2.0194	1.0055	2.4991	2.9321	1.7063		3.4827
H7	1.8790	3.1521	1.0124	2.2487	3.9111	3.4827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	118.527	C1	N2	H6	116.132
C1	N3	H7	110.469	N2	C1	N3	122.287
N2	C1	H4	112.782	N3	C1	H4	124.893
H5	N2	H6	116.431

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: mPW1PW91/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	0.042
2	N	-0.198
3	N	-0.309
4	H	0.047
5	H	0.143
6	H	0.150
7	H	0.127

	x	y	z	Total
	1.907	1.748	0.657	2.669
CHELPG
AIM
ESP

	x	y	z
x	5.806	0.216	0.017
y	0.216	4.112	-0.008
z	0.017	-0.008	2.667

<r²>	44.225
(<r²>)^1/2	6.650

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)