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	hartrees
Energy at 0K	-207.770580
Energy at 298.15K
HF Energy	-207.770580
Nuclear repulsion energy	102.973899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3324	3324	4.79	56.80	0.67	0.80
2	A'	3224	3224	8.98	146.35	0.16	0.28
3	A'	3200	3200	2.78	24.15	0.21	0.34
4	A'	1704	1704	3.73	70.72	0.18	0.30
5	A'	1524	1524	108.94	72.47	0.29	0.45
6	A'	1452	1452	29.06	24.27	0.38	0.55
7	A'	1305	1305	1.33	11.61	0.53	0.69
8	A'	1171	1171	55.05	30.48	0.58	0.74
9	A'	914	914	36.52	0.72	0.75	0.86
10	A'	606	606	3.45	8.59	0.32	0.48
11	A'	343	343	1.13	0.50	0.70	0.82
12	A"	1070	1070	50.84	6.59	0.75	0.86
13	A"	1029	1029	48.37	1.49	0.75	0.86
14	A"	698	698	2.06	6.11	0.75	0.86
15	A"	182	182	0.21	1.06	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.209	1.248
C2	0.000	0.659
N3	-0.029	-0.786
O4	-1.190	-1.262
H5	2.110	0.641
H6	1.315	2.327
H7	-0.952	1.187

	C1	C2	N3	O4	H5	H6	H7
C1		1.3448	2.3811	3.4724	1.0862	1.0841	2.1619
C2	1.3448		1.4453	2.2600	2.1100	2.1242	1.0888
N3	2.3811	1.4453		1.2551	2.5714	3.3908	2.1784
O4	3.4724	2.2600	1.2551		3.8097	4.3772	2.4609
H5	1.0862	2.1100	2.5714	3.8097		1.8635	3.1103
H6	1.0841	2.1242	3.3908	4.3772	1.8635		2.5378
H7	2.1619	1.0888	2.1784	2.4609	3.1103	2.5378

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.126	C1	C2	H7	125.004
C2	C1	H5	120.064	C2	C1	H6	121.608
C2	N3	O4	113.448	N3	C2	H7	117.869
H5	C1	H6	118.328

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: wB97X-D/LANL2DZ

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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Number	Element	Mulliken
1	C	-0.424
2	C	-0.108
3	N	0.036
4	O	-0.226
5	H	0.241
6	H	0.232
7	H	0.249

	x	y	z	Total
	1.575	3.488	0.000	3.827
CHELPG
AIM
ESP

	x	y	z
x	6.447	2.502	0.000
y	2.502	5.760	0.000
z	0.000	0.000	1.942

<r²>	77.993
(<r²>)^1/2	8.831

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: wB97X-D/LANL2DZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)