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	hartrees
Energy at 0K	-150.069516
Energy at 298.15K	-150.074826
HF Energy	-150.069516
Nuclear repulsion energy	72.255219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3697	3574	29.74
2	A	3571	3452	21.95
3	A	3517	3400	3.32
4	A	3029	2928	62.51
5	A	1730	1673	276.67
6	A	1624	1570	28.37
7	A	1412	1365	31.35
8	A	1331	1287	27.52
9	A	1109	1072	126.55
10	A	1093	1056	6.58
11	A	1050	1015	0.91
12	A	804	777	40.68
13	A	574	555	96.55
14	A	538	520	57.68
15	A	375	362	171.29

Atom	x (Å)	y (Å)	z (Å)
C1	-0.124	0.390	-0.002
N2	1.135	-0.147	-0.062
N3	-1.170	-0.331	0.013
H4	-0.116	1.485	-0.008
H5	1.909	0.411	0.252
H6	1.202	-1.138	0.107
H7	-2.005	0.245	0.003

	C1	N2	N3	H4	H5	H6	H7
C1		1.3700	1.2708	1.0943	2.0482	2.0268	1.8872
N2	1.3700		2.3135	2.0570	1.0042	1.0078	3.1653
N3	1.2708	2.3135		2.0992	3.1756	2.5081	1.0144
H4	1.0943	2.0570	2.0992		2.3067	2.9381	2.2597
H5	2.0482	1.0042	3.1756	2.3067		1.7083	3.9254
H6	2.0268	1.0078	2.5081	2.9381	1.7083		3.4949
H7	1.8872	3.1653	1.0144	2.2597	3.9254	3.4949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	118.426	C1	N2	H6	116.112
C1	N3	H7	110.847	N2	C1	N3	122.294
N2	C1	H4	112.695	N3	C1	H4	124.971
H5	N2	H6	116.214

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: B3LYPultrafine/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	0.028
2	N	-0.217
3	N	-0.303
4	H	0.055
5	H	0.149
6	H	0.156
7	H	0.133

	x	y	z	Total
	1.863	1.735	0.666	2.631
CHELPG
AIM
ESP

	x	y	z
x	5.905	0.208	0.023
y	0.208	4.182	-0.009
z	0.023	-0.009	2.669

<r²>	44.574
(<r²>)^1/2	6.676

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)