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	hartrees
Energy at 0K	-169.356627
Energy at 298.15K	-169.360996
HF Energy	-168.820907
Nuclear repulsion energy	74.086485

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3375	3216
2	A	3187	3037
3	A	3091	2946
4	A	1540	1468
5	A	1362	1298
6	A	1268	1208
7	A	1245	1187
8	A	1214	1157
9	A	1083	1032
10	A	962	917
11	A	913	870
12	A	708	675

Atom	x (Å)	y (Å)	z (Å)
C1	0.678	-0.355	0.016
N2	-0.759	-0.430	-0.163
O3	-0.001	0.871	0.020
H4	1.125	-0.671	0.973
H5	1.277	-0.583	-0.878
H6	-1.152	-0.576	0.785

	C1	N2	O3	H4	H5	H6
C1		1.4499	1.4013	1.1025	1.1003	1.9967
N2	1.4499		1.5171	2.2127	2.1635	1.0356
O3	1.4013	1.5171		2.1342	2.1342	2.0005
H4	1.1025	2.2127	2.1342		1.8593	2.2862
H5	1.1003	2.1635	2.1342	1.8593		2.9433
H6	1.9967	1.0356	2.0005	2.2862	2.9433

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.309	C1	N2	H6	105.686
C1	O3	N2	59.421	N2	C1	O3	64.269
N2	C1	H4	119.579	N2	C1	H5	115.382
O3	C1	H4	116.440	O3	C1	H5	116.601
O3	N2	H6	101.529	H4	C1	H5	115.143

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

using model chemistry: QCISD(T)/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(T)/cc-pVDZ

States and conformations

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