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	hartrees
Energy at 0K	-169.743443
Energy at 298.15K	-169.747835
HF Energy	-169.522752
Nuclear repulsion energy	74.777889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3436	3297	1.82
2	A	3201	3071	17.50
3	A	3110	2984	30.86
4	A	1553	1490	1.06
5	A	1362	1307	23.37
6	A	1270	1219	38.11
7	A	1255	1204	8.11
8	A	1230	1180	3.62
9	A	1098	1053	8.91
10	A	983	943	17.30
11	A	897	861	33.02
12	A	744	714	5.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.678	-0.350	0.017
N2	-0.742	-0.435	-0.160
O3	-0.013	0.866	0.019
H4	1.114	-0.642	0.965
H5	1.269	-0.559	-0.864
H6	-1.155	-0.587	0.760

	C1	N2	O3	H4	H5	H6
C1		1.4327	1.3981	1.0839	1.0821	1.9913
N2	1.4327		1.5019	2.1800	2.1336	1.0199
O3	1.3981	1.5019		2.1074	2.1106	1.9913
H4	1.0839	2.1800	2.1074		1.8382	2.2788
H5	1.0821	2.1336	2.1106	1.8382		2.9176
H6	1.9913	1.0199	1.9913	2.2788	2.9176

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.846	C1	N2	H6	107.370
C1	O3	N2	59.081	N2	C1	O3	64.073
N2	C1	H4	119.410	N2	C1	H5	115.374
O3	C1	H4	115.643	O3	C1	H5	116.049
O3	N2	H6	102.614	H4	C1	H5	116.135

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

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

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: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

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