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	hartrees
Energy at 0K	-169.575863
Energy at 298.15K	-169.580260
HF Energy	-168.876008
Nuclear repulsion energy	74.831439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3425	3277
2	A	3199	3061
3	A	3122	2987
4	A	1564	1496
5	A	1367	1308
6	A	1278	1222
7	A	1259	1205
8	A	1238	1184
9	A	1105	1057
10	A	981	938
11	A	917	877
12	A	741	709

Atom	x (Å)	y (Å)	z (Å)
C1	0.680	-0.345	0.017
N2	-0.741	-0.437	-0.161
O3	-0.017	0.864	0.020
H4	1.115	-0.641	0.963
H5	1.270	-0.552	-0.864
H6	-1.138	-0.591	0.767

	C1	N2	O3	H4	H5	H6
C1		1.4349	1.3958	1.0824	1.0807	1.9818
N2	1.4349		1.5005	2.1788	2.1342	1.0206
O3	1.3958	1.5005		2.1065	2.1086	1.9834
H4	1.0824	2.1788	2.1065		1.8355	2.2616
H5	1.0807	2.1342	2.1086	1.8355		2.9091
H6	1.9818	1.0206	1.9834	2.2616	2.9091

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	56.734	C1	N2	H6	106.403
C1	O3	N2	59.264	N2	C1	O3	64.002
N2	C1	H4	119.224	N2	C1	H5	115.359
O3	C1	H4	115.843	O3	C1	H5	116.161
O3	N2	H6	102.079	H4	C1	H5	116.110

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

using model chemistry: QCISD(T)=FULL/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: QCISD(T)=FULL/cc-pVTZ

States and conformations

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