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	hartrees
Energy at 0K	-150.074751
Energy at 298.15K	-150.079990
HF Energy	-150.074751
Nuclear repulsion energy	72.262695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3707	3587	38.89
2	A	3576	3460	27.98
3	A	3524	3410	8.16
4	A	3039	2940	52.93
5	A	1717	1662	334.03
6	A	1624	1571	23.87
7	A	1406	1360	27.37
8	A	1328	1285	34.32
9	A	1106	1070	135.01
10	A	1086	1051	1.50
11	A	1046	1012	0.15
12	A	800	774	52.68
13	A	566	548	55.73
14	A	529	512	53.00
15	A	323	313	189.48

Atom	x (Å)	y (Å)	z (Å)
C1	-0.125	0.391	-0.000
N2	1.140	-0.146	-0.071
N3	-1.171	-0.329	0.016
H4	-0.123	1.485	-0.017
H5	1.902	0.403	0.292
H6	1.202	-1.137	0.111
H7	-2.018	0.227	-0.002

	C1	N2	N3	H4	H5	H6	H7
C1		1.3758	1.2696	1.0941	2.0475	2.0266	1.9001
N2	1.3758		2.3196	2.0631	1.0062	1.0097	3.1807
N3	1.2696	2.3196		2.0948	3.1702	2.5082	1.0136
H4	1.0941	2.0631	2.0948		2.3161	2.9403	2.2744
H5	2.0475	1.0062	3.1702	2.3161		1.7011	3.9344
H6	2.0266	1.0097	2.5082	2.9403	1.7011		3.4988
H7	1.9001	3.1807	1.0136	2.2744	3.9344	3.4988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	117.695	C1	N2	H6	115.471
C1	N3	H7	112.162	N2	C1	N3	122.475
N2	C1	H4	112.793	N3	C1	H4	124.649
H5	N2	H6	115.103

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: B3LYPultrafine/aug-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	-0.053
2	N	-0.155
3	N	-0.487
4	H	0.434
5	H	0.055
6	H	0.115
7	H	0.092

	x	y	z	Total
	1.983	1.798	0.570	2.737
CHELPG
AIM
ESP

	x	y	z
x	6.653	0.260	-0.033
y	0.260	4.807	-0.010
z	-0.033	-0.010	3.676

<r²>	44.879
(<r²>)^1/2	6.699

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)