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	hartrees
Energy at 0K	-149.125658
Energy at 298.15K	-149.130936
Nuclear repulsion energy	71.952428

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3734	3545	40.62
2	A'	3593	3412	35.19
3	A'	3435	3262	0.71
4	A'	3050	2896	71.83
5	A'	1755	1666	235.97
6	A'	1668	1584	32.26
7	A'	1412	1341	44.60
8	A'	1353	1285	34.46
9	A'	1115	1059	143.37
10	A'	1085	1031	29.48
11	A'	545	518	21.20
12	A"	1093	1038	0.28
13	A"	823	781	34.73
14	A"	608	578	250.62
15	A"	324	307	195.85

Atom	x (Å)	y (Å)
C1	0.000	0.416
N2	-1.037	-0.474
N3	1.220	0.027
H4	-0.351	1.454
H5	-1.999	-0.176
H6	-0.818	-1.461
H7	1.886	0.809

	C1	N2	N3	H4	H5	H6	H7
C1		1.3665	1.2807	1.0959	2.0846	2.0478	1.9263
N2	1.3665		2.3122	2.0466	1.0070	1.0112	3.1920
N3	1.2807	2.3122		2.1225	3.2255	2.5240	1.0267
H4	1.0959	2.0466	2.1225		2.3179	2.9526	2.3279
H5	2.0846	1.0070	3.2255	2.3179		1.7453	4.0075
H6	2.0478	1.0112	2.5240	2.9526	1.7453		3.5306
H7	1.9263	3.1920	1.0267	2.3279	4.0075	3.5306

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	122.146	C1	N2	H6	118.139
C1	N3	H7	112.729	N2	C1	N3	121.690
N2	C1	H4	111.958	N3	C1	H4	126.352
H5	N2	H6	119.715

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: mPW1PW91/3-21G*

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	0.288
2	N	-0.778
3	N	-0.628
4	H	0.194
5	H	0.326
6	H	0.337
7	H	0.262

	x	y	z	Total
	-2.406	1.169	0.000	2.675
CHELPG
AIM
ESP

	x	y	z
x	5.005	0.347	0.000
y	0.347	3.216	0.000
z	0.000	0.000	1.022

<r²>	44.416
(<r²>)^1/2	6.665

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: mPW1PW91/3-21G*

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)