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	hartrees
Energy at 0K	-169.340401
Energy at 298.15K	-169.344804
HF Energy	-168.822550
Nuclear repulsion energy	74.486560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3407	3269	2.84
2	A	3206	3076	33.71
3	A	3112	2985	30.16
4	A	1554	1491	4.41
5	A	1376	1321	22.17
6	A	1298	1245	29.68
7	A	1266	1215	9.73
8	A	1230	1180	1.93
9	A	1098	1053	9.57
10	A	974	935	16.18
11	A	933	896	27.14
12	A	755	724	4.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.692	-0.326	0.016
N2	-0.735	-0.453	-0.163
O3	-0.041	0.863	0.021
H4	1.148	-0.624	0.973
H5	1.301	-0.526	-0.876
H6	-1.129	-0.624	0.777

	C1	N2	O3	H4	H5	H6
C1		1.4432	1.3970	1.1008	1.0987	1.9952
N2	1.4432		1.4997	2.2055	2.1585	1.0331
O3	1.3970	1.4997		2.1284	2.1299	1.9919
H4	1.1008	2.2055	2.1284		1.8574	2.2853
H5	1.0987	2.1585	2.1299	1.8574		2.9402
H6	1.9952	1.0331	1.9919	2.2853	2.9402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.639	C1	N2	H6	106.174
C1	O3	N2	59.641	N2	C1	O3	63.720
N2	C1	H4	119.597	N2	C1	H5	115.569
O3	C1	H4	116.384	O3	C1	H5	116.668
O3	N2	H6	102.133	H4	C1	H5	115.221

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

using model chemistry: QCISD/cc-pVDZ

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/cc-pVDZ

States and conformations

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