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	hartrees
Energy at 0K	-169.022751
Energy at 298.15K	-169.027106
HF Energy	-168.706402
Nuclear repulsion energy	72.518353

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3482	3256	3.22
2	A	3311	3097	18.77
3	A	3201	2994	10.57
4	A	1611	1507	0.40
5	A	1385	1295	24.11
6	A	1286	1202	17.43
7	A	1247	1166	12.48
8	A	1204	1126	18.26
9	A	1097	1026	12.43
10	A	1010	945	25.54
11	A	836	782	23.76
12	A	707	661	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.676	-0.401	0.021
N2	-0.770	-0.431	-0.156
O3	0.027	0.912	0.014
H4	1.114	-0.689	0.971
H5	1.255	-0.641	-0.861
H6	-1.248	-0.544	0.744

	C1	N2	O3	H4	H5	H6
C1		1.4576	1.4644	1.0856	1.0817	2.0611
N2	1.4576		1.5707	2.2110	2.1548	1.0253
O3	1.4644	1.5707		2.1591	2.1645	2.0686
H4	1.0856	2.2110	2.1591		1.8383	2.3780
H5	1.0817	2.1548	2.1645	1.8383		2.9754
H6	2.0611	1.0253	2.0686	2.3780	2.9754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	57.694	C1	N2	H6	111.024
C1	O3	N2	57.275	N2	C1	O3	65.031
N2	C1	H4	120.065	N2	C1	H5	115.317
O3	C1	H4	114.903	O3	C1	H5	115.630
O3	N2	H6	103.658	H4	C1	H5	116.030

All results from a given calculation for CNOH₃ (1,2-oxaziridine)

using model chemistry: CID/6-31G

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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All results from a given calculation for CNOH3 (1,2-oxaziridine)

using model chemistry: CID/6-31G

States and conformations

All results from a given calculation for CNOH₃ (1,2-oxaziridine)