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	hartrees
Energy at 0K	-166.808299
Energy at 298.15K	-166.812665
HF Energy	-166.638202
Nuclear repulsion energy	72.115385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3549	3155	3.56
2	A	3467	3082	27.38
3	A	3388	3011	1.50
4	A	1665	1480	1.21
5	A	1465	1302	16.27
6	A	1339	1190	0.98
7	A	1314	1168	14.47
8	A	1234	1097	1.86
9	A	1114	990	5.46
10	A	1003	891	8.28
11	A	995	884	1.34
12	A	956	850	2.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.777	-0.239	0.012
N2	-0.697	-0.550	-0.173
O3	-0.182	0.865	0.028
H4	1.272	-0.491	0.972
H5	1.412	-0.347	-0.888
H6	-1.008	-0.802	0.835

	C1	N2	O3	H4	H5	H6
C1		1.5178	1.4628	1.1089	1.1075	2.0441
N2	1.5178		1.5192	2.2787	2.2370	1.0845
O3	1.4628	1.5192		2.2016	2.2025	2.0281
H4	1.1089	2.2787	2.2016		1.8709	2.3050
H5	1.1075	2.2370	2.2025	1.8709		3.0057
H6	2.0441	1.0845	2.0281	2.3050	3.0057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	57.590	C1	N2	H6	102.249
C1	O3	N2	61.157	N2	C1	O3	61.252
N2	C1	H4	119.531	N2	C1	H5	116.005
O3	C1	H4	117.094	O3	C1	H5	117.268
O3	N2	H6	101.008	H4	C1	H5	115.154

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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