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	hartrees
Energy at 0K	-169.406818
Energy at 298.15K	-169.411226
HF Energy	-168.827873
Nuclear repulsion energy	74.754250

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3474	3281	0.43
2	A	3259	3078	17.58
3	A	3153	2978	20.98
4	A	1561	1474	1.42
5	A	1380	1303	26.52
6	A	1281	1210	28.74
7	A	1267	1196	12.45
8	A	1230	1162	2.69
9	A	1104	1043	11.80
10	A	986	931	17.15
11	A	931	880	23.55
12	A	769	726	2.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.689	-0.330	0.017
N2	-0.733	-0.452	-0.161
O3	-0.038	0.863	0.020
H4	1.135	-0.618	0.966
H5	1.284	-0.527	-0.870
H6	-1.123	-0.616	0.771

	C1	N2	O3	H4	H5	H6
C1		1.4379	1.3974	1.0874	1.0856	1.9838
N2	1.4379		1.4976	2.1876	2.1393	1.0236
O3	1.3974	1.4976		2.1128	2.1148	1.9819
H4	1.0874	2.1876	2.1128		1.8436	2.2670
H5	1.0856	2.1393	2.1148	1.8436		2.9149
H6	1.9838	1.0236	1.9819	2.2670	2.9149

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.808	C1	N2	H6	106.180
C1	O3	N2	59.444	N2	C1	O3	63.748
N2	C1	H4	119.411	N2	C1	H5	115.218
O3	C1	H4	115.931	O3	C1	H5	116.239
O3	N2	H6	102.001	H4	C1	H5	116.081

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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