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	hartrees
Energy at 0K	-207.847340
Energy at 298.15K
HF Energy	-207.847340
Nuclear repulsion energy	102.422658

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'	3294	3166	4.85	56.85	0.67	0.80
2	A'	3188	3064	7.84	158.64	0.14	0.25
3	A'	3168	3045	4.40	14.80	0.60	0.75
4	A'	1660	1596	3.52	53.90	0.17	0.29
5	A'	1438	1382	82.24	49.03	0.27	0.42
6	A'	1433	1377	38.85	31.81	0.34	0.51
7	A'	1287	1237	2.07	12.59	0.50	0.67
8	A'	1147	1102	56.44	28.76	0.58	0.73
9	A'	893	858	36.50	0.53	0.69	0.82
10	A'	594	571	3.78	9.99	0.32	0.49
11	A'	336	323	0.94	0.71	0.66	0.79
12	A"	1047	1007	52.87	5.94	0.75	0.86
13	A"	1021	981	44.24	1.28	0.75	0.86
14	A"	687	660	1.32	5.31	0.75	0.86
15	A"	190	182	0.20	1.05	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.213	1.257
C2	0.000	0.659
N3	-0.025	-0.787
O4	-1.198	-1.271
H5	2.118	0.653
H6	1.317	2.338
H7	-0.955	1.187

	C1	C2	N3	O4	H5	H6	H7
C1		1.3525	2.3891	3.4934	1.0880	1.0862	2.1689
C2	1.3525		1.4455	2.2714	2.1177	2.1345	1.0914
N3	2.3891	1.4455		1.2697	2.5809	3.4007	2.1821
O4	3.4934	2.2714	1.2697		3.8335	4.3992	2.4702
H5	1.0880	2.1177	2.5809	3.8335		1.8659	3.1188
H6	1.0862	2.1345	3.4007	4.3992	1.8659		2.5470
H7	2.1689	1.0914	2.1821	2.4702	3.1188	2.5470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.228	C1	C2	H7	124.777
C2	C1	H5	120.005	C2	C1	H6	121.767
C2	N3	O4	113.396	N3	C2	H7	117.995
H5	C1	H6	118.228

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3LYP/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	-0.426
2	C	-0.102
3	N	0.032
4	O	-0.224
5	H	0.239
6	H	0.233
7	H	0.249

	x	y	z	Total
	1.618	3.568	0.000	3.918
CHELPG
AIM
ESP

	x	y	z
x	6.448	2.582	0.000
y	2.582	5.987	0.000
z	0.000	0.000	1.949

<r²>	78.680
(<r²>)^1/2	8.870

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)