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	hartrees
Energy at 0K	-149.953875
Energy at 298.15K	-149.959196
Nuclear repulsion energy	72.123242

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3742	3587	30.45
2	A	3606	3456	23.15
3	A	3546	3399	0.53
4	A	3053	2926	65.82
5	A	1767	1693	264.78
6	A	1627	1560	36.87
7	A	1424	1365	27.85
8	A	1345	1289	26.16
9	A	1120	1074	116.99
10	A	1100	1054	4.51
11	A	1051	1007	1.72
12	A	808	774	33.29
13	A	586	562	176.35
14	A	544	521	49.76
15	A	386	369	172.47

Atom	x (Å)	y (Å)	z (Å)
C1	-0.122	0.393	-0.002
N2	1.135	-0.148	-0.068
N3	-1.171	-0.333	0.016
H4	-0.108	1.492	-0.012
H5	1.906	0.398	0.281
H6	1.186	-1.142	0.106
H7	-2.000	0.257	-0.002

	C1	N2	N3	H4	H5	H6	H7
C1		1.3704	1.2765	1.0992	2.0479	2.0194	1.8834
N2	1.3704		2.3159	2.0588	1.0068	1.0103	3.1627
N3	1.2765	2.3159		2.1129	3.1745	2.4937	1.0179
H4	1.0992	2.0588	2.1129		2.3107	2.9369	2.2600
H5	2.0479	1.0068	3.1745	2.3107		1.7091	3.9195
H6	2.0194	1.0103	2.4937	2.9369	1.7091		3.4815
H7	1.8834	3.1627	1.0179	2.2600	3.9195	3.4815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	118.158	C1	N2	H6	115.206
C1	N3	H7	109.835	N2	C1	N3	122.036
N2	C1	H4	112.488	N3	C1	H4	125.428
H5	N2	H6	115.843

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: B3PW91/6-31G**

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	0.247
2	N	-0.609
3	N	-0.561
4	H	0.105
5	H	0.282
6	H	0.292
7	H	0.243

	x	y	z	Total
	1.809	1.737	0.809	2.635
CHELPG
AIM
ESP

	x	y	z
x	5.463	0.206	0.035
y	0.206	3.642	0.001
z	0.035	0.001	1.707

<r²>	44.298
(<r²>)^1/2	6.656

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)