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	hartrees
Energy at 0K	-169.333126
Energy at 298.15K	-169.337517
HF Energy	-168.817973
Nuclear repulsion energy	74.316594

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3496	3283	1.37
2	A	3300	3099	17.60
3	A	3188	2994	23.51
4	A	1591	1494	2.87
5	A	1358	1276	17.58
6	A	1279	1201	26.91
7	A	1257	1180	13.98
8	A	1243	1168	5.86
9	A	1103	1036	13.22
10	A	990	930	21.20
11	A	918	862	33.60
12	A	740	695	2.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.678	-0.357	0.018
N2	-0.747	-0.438	-0.159
O3	-0.008	0.875	0.017
H4	1.117	-0.645	0.966
H5	1.265	-0.571	-0.865
H6	-1.157	-0.575	0.768

	C1	N2	O3	H4	H5	H6
C1		1.4388	1.4105	1.0843	1.0818	1.9949
N2	1.4388		1.5166	2.1878	2.1372	1.0231
O3	1.4105	1.5166		2.1162	2.1191	1.9965
H4	1.0843	2.1878	2.1162		1.8394	2.2843
H5	1.0818	2.1372	2.1191	1.8394		2.9220
H6	1.9949	1.0231	1.9965	2.2843	2.9220

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.943	C1	N2	H6	107.044
C1	O3	N2	58.749	N2	C1	O3	64.309
N2	C1	H4	119.599	N2	C1	H5	115.236
O3	C1	H4	115.419	O3	C1	H5	115.852
O3	N2	H6	101.889	H4	C1	H5	116.254

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

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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