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	hartrees
Energy at 0K	-149.117861
Energy at 298.15K	-149.123186
HF Energy	-149.117861
Nuclear repulsion energy	71.945596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3753	3557	41.86
2	A	3615	3426	38.34
3	A	3460	3280	0.72
4	A	3071	2911	67.64
5	A	1761	1669	244.62
6	A	1677	1589	32.74
7	A	1420	1345	45.79
8	A	1358	1287	37.03
9	A	1119	1061	160.03
10	A	1097	1040	0.92
11	A	1097	1039	15.64
12	A	830	787	36.06
13	A	604	573	264.84
14	A	553	524	20.82
15	A	359	340	194.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.121	0.424	0.003
N2	-1.150	-0.174	0.011
N3	1.163	-0.326	-0.011
H4	0.143	1.490	-0.012
H5	-1.916	0.467	-0.039
H6	-1.086	-1.174	-0.009
H7	2.040	0.175	0.044

	C1	N2	N3	H4	H5	H6	H7
C1		1.4050	1.2835	1.0664	2.0379	2.0024	1.9356
N2	1.4050		2.3186	2.1070	0.9996	1.0020	3.2099
N3	1.2835	2.3186		2.0829	3.1795	2.4038	1.0117
H4	1.0664	2.1070	2.0829		2.2985	2.9332	2.3095
H5	2.0379	0.9996	3.1795	2.2985		1.8388	3.9678
H6	2.0024	1.0020	2.4038	2.9332	1.8388		3.4055
H7	1.9356	3.2099	1.0117	2.3095	3.9678	3.4055

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	114.839	C1	N2	H6	111.486
C1	N3	H7	114.463	N2	C1	N3	119.101
N2	C1	H4	116.311	N3	C1	H4	124.576
H5	N2	H6	133.454

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: wB97X-D/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	-0.779
3	N	-0.624
4	H	0.191
5	H	0.326
6	H	0.338
7	H	0.261

	x	y	z	Total
	-1.946	1.866	0.000	2.696
CHELPG
AIM
ESP

	x	y	z
x	5.000	-0.224	0.000
y	-0.224	3.132	0.000
z	0.000	0.000	1.010

<r²>	44.409
(<r²>)^1/2	6.664

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: wB97X-D/3-21G*

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)