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	hartrees
Energy at 0K	-149.154636
Energy at 298.15K	-149.160086
Nuclear repulsion energy	73.053745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3921	3562	41.75
2	A	3798	3450	35.84
3	A	3766	3421	10.58
4	A	3219	2925	48.99
5	A	1877	1705	368.17
6	A	1770	1608	31.76
7	A	1543	1402	38.00
8	A	1430	1299	40.33
9	A	1206	1096	52.87
10	A	1189	1081	47.55
11	A	1152	1047	50.77
12	A	881	800	40.98
13	A	603	548	100.15
14	A	579	526	113.63
15	A	403	366	177.46

Atom	x (Å)	y (Å)	z (Å)
C1	-0.127	0.382	-0.004
N2	1.129	-0.143	-0.064
N3	-1.158	-0.327	0.013
H4	-0.139	1.464	-0.007
H5	1.880	0.414	0.263
H6	1.205	-1.116	0.113
H7	-1.984	0.232	0.011

	C1	N2	N3	H4	H5	H6	H7
C1		1.3629	1.2507	1.0827	2.0249	2.0081	1.8633
N2	1.3629		2.2959	2.0478	0.9899	0.9926	3.1371
N3	1.2507	2.2959		2.0607	3.1365	2.4931	0.9977
H4	1.0827	2.0478	2.0607		2.2911	2.9120	2.2194
H5	2.0249	0.9899	3.1365	2.2911		1.6797	3.8767
H6	2.0081	0.9926	2.4931	2.9120	1.6797		3.4641
H7	1.8633	3.1371	0.9977	2.2194	3.8767	3.4641

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	117.905	C1	N2	H6	116.084
C1	N3	H7	111.439	N2	C1	N3	122.850
N2	C1	H4	113.227	N3	C1	H4	123.893
H5	N2	H6	115.829

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: HF/cc-pVQZ

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	0.251
2	N	-0.377
3	N	-0.442
4	H	0.047
5	H	0.175
6	H	0.192
7	H	0.154

	x	y	z	Total
	1.821	2.032	0.767	2.834
CHELPG
AIM
ESP

	x	y	z
x	5.533	0.336	-0.004
y	0.336	3.992	-0.006
z	-0.004	-0.006	2.931

<r²>	44.000
(<r²>)^1/2	6.633

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: HF/cc-pVQZ

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)