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	hartrees
Energy at 0K	-169.888112
Energy at 298.15K	-169.892139
HF Energy	-169.888112
Nuclear repulsion energy	71.199282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3916	3916	87.81
2	A'	3582	3582	14.65
3	A'	3052	3052	51.86
4	A'	1779	1779	230.39
5	A'	1424	1424	14.04
6	A'	1337	1337	180.15
7	A'	1196	1196	30.08
8	A'	1067	1067	214.07
9	A'	624	624	1.49
10	A"	1047	1047	2.31
11	A"	835	835	65.67
12	A"	423	423	66.46

Atom	x (Å)	y (Å)
C1	0.000	0.371
O2	-0.999	-0.528
N3	1.192	-0.016
H4	-0.335	1.413
H5	-1.843	-0.076
H6	1.823	0.776

	C1	O2	N3	H4	H5	H6
C1		1.3439	1.2534	1.0948	1.8963	1.8672
O2	1.3439		2.2499	2.0520	0.9574	3.1085
N3	1.2534	2.2499		2.0915	3.0355	1.0129
H4	1.0948	2.0520	2.0915		2.1198	2.2493
H5	1.8963	0.9574	3.0355	2.1198		3.7634
H6	1.8672	3.1085	1.0129	2.2493	3.7634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.836	C1	N3	H6	110.510
O2	C1	N3	120.012	O2	C1	H4	114.200
N3	C1	H4	125.788

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: mPW1PW91/6-311+G(3df,2p)

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	0.784
2	O	-0.476
3	N	-0.828
4	H	0.121
5	H	0.223
6	H	0.176

	x	y	z	Total
	-2.110	3.130	0.000	3.775
CHELPG
AIM
ESP

	x	y	z
x	5.453	-0.027	0.000
y	-0.027	3.743	0.000
z	0.000	0.000	2.849

<r²>	41.111
(<r²>)^1/2	6.412