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	hartrees
Energy at 0K	-149.970015
Energy at 298.15K	-149.975266
HF Energy	-149.970015
Nuclear repulsion energy	72.152005

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3784	3604	48.09
2	A	3642	3469	36.66
3	A	3587	3417	7.35
4	A	3097	2950	55.88
5	A	1761	1677	377.57
6	A	1637	1559	38.04
7	A	1422	1354	19.86
8	A	1343	1279	38.46
9	A	1124	1071	126.47
10	A	1097	1045	3.36
11	A	1052	1002	0.53
12	A	811	772	64.03
13	A	565	538	56.61
14	A	532	507	81.62
15	A	327	312	234.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.120	0.417	0.002
N2	-1.146	-0.171	0.014
N3	1.159	-0.328	-0.011
H4	0.159	1.484	-0.014
H5	-1.898	0.481	-0.046
H6	-1.088	-1.170	-0.017
H7	2.019	0.192	0.047

	C1	N2	N3	H4	H5	H6	H7
C1		1.3958	1.2787	1.0671	2.0196	1.9944	1.9129
N2	1.3958		2.3101	2.1079	0.9973	1.0006	3.1855
N3	1.2787	2.3101		2.0688	3.1624	2.3994	1.0061
H4	1.0671	2.1079	2.0688		2.2894	2.9320	2.2650
H5	2.0196	0.9973	3.1624	2.2894		1.8387	3.9288
H6	1.9944	1.0006	2.3994	2.9320	1.8387		3.3924
H7	1.9129	3.1855	1.0061	2.2650	3.9288	3.3924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	114.074	C1	N2	H6	111.598
C1	N3	H7	113.159	N2	C1	N3	119.417
N2	C1	H4	117.084	N3	C1	H4	123.489
H5	N2	H6	133.948

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: wB97X-D/cc-pVDZ

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	0.062
2	N	-0.536
3	N	-0.552
4	H	0.133
5	H	0.306
6	H	0.326
7	H	0.261

	x	y	z	Total
	-1.974	2.080	-0.648	2.940
CHELPG
AIM
ESP

	x	y	z
x	5.996	-0.432	-0.060
y	-0.432	4.190	0.012
z	-0.060	0.012	3.031

<r²>	44.798
(<r²>)^1/2	6.693

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)