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	hartrees
Energy at 0K	-169.414193
Energy at 298.15K	-169.418603
HF Energy	-168.869121
Nuclear repulsion energy	74.789190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3443	3289	2.89
2	A	3227	3082	24.91
3	A	3130	2990	28.57
4	A	1585	1514	2.90
5	A	1359	1298	17.94
6	A	1294	1237	31.75
7	A	1275	1218	7.93
8	A	1253	1197	4.14
9	A	1115	1065	11.09
10	A	994	949	18.09
11	A	916	875	32.96
12	A	759	725	5.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.685	-0.338	0.017
N2	-0.737	-0.443	-0.161
O3	-0.027	0.863	0.021
H4	1.125	-0.631	0.966
H5	1.285	-0.537	-0.865
H6	-1.143	-0.609	0.763

	C1	N2	O3	H4	H5	H6
C1		1.4368	1.3961	1.0868	1.0845	1.9928
N2	1.4368		1.4966	2.1847	2.1424	1.0229
O3	1.3961	1.4966		2.1102	2.1131	1.9900
H4	1.0868	2.1847	2.1102		1.8405	2.2769
H5	1.0845	2.1424	2.1131	1.8405		2.9234
H6	1.9928	1.0229	1.9900	2.2769	2.9234

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.796	C1	N2	H6	107.026
C1	O3	N2	59.441	N2	C1	O3	63.763
N2	C1	H4	119.277	N2	C1	H5	115.659
O3	C1	H4	115.843	O3	C1	H5	116.267
O3	N2	H6	102.714	H4	C1	H5	115.910

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

using model chemistry: QCISD/TZVP

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: QCISD/TZVP

States and conformations

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