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	hartrees
Energy at 0K	-207.794432
Energy at 298.15K
HF Energy	-207.794432
Nuclear repulsion energy	103.713011

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'	3211	3211	2.26	68.67	0.70	0.82
2	A'	3106	3106	5.29	195.43	0.10	0.18
3	A'	3086	3086	12.76	38.95	0.60	0.75
4	A'	1623	1623	1.44	35.64	0.07	0.13
5	A'	1502	1502	133.45	56.05	0.51	0.68
6	A'	1375	1375	25.76	22.65	0.37	0.54
7	A'	1250	1250	1.96	9.06	0.24	0.38
8	A'	1104	1104	80.67	23.11	0.34	0.51
9	A'	861	861	37.25	0.20	0.39	0.56
10	A'	597	597	0.59	12.94	0.11	0.19
11	A'	342	342	0.85	1.24	0.74	0.85
12	A"	993	993	20.38	2.89	0.75	0.86
13	A"	974	974	30.30	0.41	0.75	0.86
14	A"	651	651	0.61	0.56	0.75	0.86
15	A"	180	180	0.12	0.28	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.224	1.221
C2	0.000	0.654
N3	-0.049	-0.779
O4	-1.190	-1.236
H5	2.114	0.586
H6	1.356	2.306
H7	-0.954	1.198

	C1	C2	N3	O4	H5	H6	H7
C1		1.3495	2.3710	3.4450	1.0938	1.0922	2.1783
C2	1.3495		1.4334	2.2331	2.1155	2.1373	1.0981
N3	2.3710	1.4334		1.2297	2.5575	3.3893	2.1741
O4	3.4450	2.2331	1.2297		3.7735	4.3618	2.4449
H5	1.0938	2.1155	2.5575	3.7735		1.8796	3.1287
H6	1.0922	2.1373	3.3893	4.3618	1.8796		2.5620
H7	2.1783	1.0981	2.1741	2.4449	3.1287	2.5620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.826	C1	C2	H7	125.421
C2	C1	H5	119.587	C2	C1	H6	121.818
C2	N3	O4	113.748	N3	C2	H7	117.753
H5	C1	H6	118.595

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B97D3/daug-cc-pVDZ

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	0.353
2	C	2.126
3	N	0.177
4	O	-0.286
5	H	-0.751
6	H	-0.811
7	H	-0.807

	x	y	z	Total
	1.521	3.057	0.000	3.414
CHELPG
AIM
ESP

	x	y	z
x	7.851	2.117	0.000
y	2.117	7.689	0.000
z	0.000	0.000	4.059

<r²>	77.302
(<r²>)^1/2	8.792

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B97D3/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)