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	hartrees
Energy at 0K	-169.446947
Energy at 298.15K	-169.451342
HF Energy	-168.868396
Nuclear repulsion energy	74.622297

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3462	3299	1.38
2	A	3259	3104	20.09
3	A	3149	3000	24.79
4	A	1579	1505	1.66
5	A	1346	1282	15.49
6	A	1278	1217	24.02
7	A	1253	1194	14.80
8	A	1242	1183	6.39
9	A	1103	1051	13.96
10	A	991	944	19.38
11	A	909	866	32.54
12	A	742	707	2.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.676	-0.355	0.017
N2	-0.748	-0.431	-0.160
O3	-0.006	0.868	0.019
H4	1.109	-0.652	0.966
H5	1.264	-0.569	-0.866
H6	-1.149	-0.579	0.768

	C1	N2	O3	H4	H5	H6
C1		1.4366	1.4005	1.0847	1.0822	1.9863
N2	1.4366		1.5073	2.1824	2.1364	1.0225
O3	1.4005	1.5073		2.1097	2.1124	1.9904
H4	1.0847	2.1824	2.1097		1.8406	2.2673
H5	1.0822	2.1364	2.1124	1.8406		2.9146
H6	1.9863	1.0225	1.9904	2.2673	2.9146

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.752	C1	N2	H6	106.531
C1	O3	N2	59.080	N2	C1	O3	64.168
N2	C1	H4	119.243	N2	C1	H5	115.308
O3	C1	H4	115.604	O3	C1	H5	116.017
O3	N2	H6	102.065	H4	C1	H5	116.292

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

using model chemistry: MP2=FULL/TZVP

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/TZVP

States and conformations

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