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	hartrees
Energy at 0K	-168.161733
Energy at 298.15K	-168.166097
HF Energy	-167.849378
Nuclear repulsion energy	72.065402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3364	3131	5.54
2	A	3307	3077	16.15
3	A	3202	2979	8.90
4	A	1627	1514	0.82
5	A	1395	1298	27.80
6	A	1264	1176	29.59
7	A	1233	1147	1.68
8	A	1168	1087	6.86
9	A	1090	1014	11.78
10	A	998	928	19.66
11	A	795	740	12.10
12	A	788	733	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.725	-0.341	0.019
N2	-0.745	-0.492	-0.158
O3	-0.056	0.909	0.015
H4	1.178	-0.606	0.966
H5	1.309	-0.538	-0.867
H6	-1.165	-0.640	0.774

	C1	N2	O3	H4	H5	H6
C1		1.4882	1.4737	1.0827	1.0792	2.0564
N2	1.4882		1.5702	2.2301	2.1735	1.0321
O3	1.4737	1.5702		2.1727	2.1761	2.0499
H4	1.0827	2.2301	2.1727		1.8388	2.3505
H5	1.0792	2.1735	2.1761	1.8388		2.9697
H6	2.0564	1.0321	2.0499	2.3505	2.9697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	57.539	C1	N2	H6	107.993
C1	O3	N2	58.435	N2	C1	O3	64.026
N2	C1	H4	119.491	N2	C1	H5	114.743
O3	C1	H4	115.551	O3	C1	H5	116.090
O3	N2	H6	101.955	H4	C1	H5	116.547

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

using model chemistry: CID/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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All results from a given calculation for CNOH3 (1,2-oxaziridine)

using model chemistry: CID/3-21G*

States and conformations

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