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	hartrees
Energy at 0K	-131.076733
Energy at 298.15K	-131.079408
HF Energy	-131.076733
Nuclear repulsion energy	61.365292

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3297	2986	0.03
2	A'	3149	2852	46.83
3	A'	2027	1835	142.96
4	A'	1665	1508	0.32
5	A'	1272	1152	1.54
6	A'	1042	944	107.76
7	A'	1033	935	427.33
8	A'	522	473	36.12
9	A"	3394	3073	16.90
10	A"	1298	1175	12.05
11	A"	1081	979	7.83
12	A"	337	305	10.81

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	-1.164	0.000
N2	0.000	0.089	0.000
C3	-0.110	1.318	0.000
H4	-0.027	-1.710	0.923
H5	-0.027	-1.710	-0.923
H6	0.830	1.872	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2531	2.4842	1.0725	1.0725	3.1520
N2	1.2531		1.2344	2.0224	2.0224	1.9663
C3	2.4842	1.2344		3.1674	3.1674	1.0907
H4	1.0725	2.0224	3.1674		1.8458	3.7970
H5	1.0725	2.0224	3.1674	1.8458		3.7970
H6	3.1520	1.9663	1.0907	3.7970	3.7970

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	174.014	N2	C1	H4	120.630
N2	C1	H5	120.630	N2	C3	H6	115.347
H4	C1	H5	118.741

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: HF/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	-0.092
2	N	-0.661
3	C	0.079
4	H	0.233
5	H	0.233
6	H	0.208

	x	y	z	Total
	1.668	-1.696	0.000	2.379
CHELPG
AIM
ESP

	x	y	z
x	1.769	0.237	0.000
y	0.237	8.467	0.000
z	0.000	0.000	2.338

<r²>	41.847
(<r²>)^1/2	6.469

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: HF/3-21G

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)