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	hartrees
Energy at 0K	-169.341143
Energy at 298.15K	-169.345545
HF Energy	-168.818659
Nuclear repulsion energy	74.465611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3479	3289	1.97
2	A	3266	3088	22.48
3	A	3167	2994	27.78
4	A	1593	1506	4.49
5	A	1368	1293	19.55
6	A	1296	1225	33.17
7	A	1274	1204	8.75
8	A	1251	1183	3.16
9	A	1111	1051	10.65
10	A	992	938	19.59
11	A	923	872	34.55
12	A	751	710	5.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.687	-0.342	0.017
N2	-0.738	-0.447	-0.160
O3	-0.028	0.869	0.019
H4	1.131	-0.627	0.967
H5	1.284	-0.542	-0.864
H6	-1.151	-0.603	0.764

	C1	N2	O3	H4	H5	H6
C1		1.4396	1.4061	1.0862	1.0838	2.0002
N2	1.4396		1.5069	2.1899	2.1435	1.0237
O3	1.4061	1.5069		2.1164	2.1199	1.9959
H4	1.0862	2.1899	2.1164		1.8392	2.2910
H5	1.0838	2.1435	2.1199	1.8392		2.9297
H6	2.0002	1.0237	1.9959	2.2910	2.9297

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.951	C1	N2	H6	107.384
C1	O3	N2	59.113	N2	C1	O3	63.937
N2	C1	H4	119.578	N2	C1	H5	115.587
O3	C1	H4	115.649	O3	C1	H5	116.126
O3	N2	H6	102.447	H4	C1	H5	115.888

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

using model chemistry: QCISD/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: QCISD/6-31+G**

States and conformations

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