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	hartrees
Energy at 0K	-207.830370
Energy at 298.15K
HF Energy	-207.830370
Nuclear repulsion energy	104.518073

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'	3274	3274	0.44	60.06	0.68	0.81
2	A'	3172	3172	5.01	180.13	0.12	0.22
3	A'	3155	3155	3.33	19.72	0.53	0.69
4	A'	1685	1685	4.71	32.30	0.05	0.10
5	A'	1608	1608	145.28	90.33	0.38	0.55
6	A'	1400	1400	26.55	20.94	0.38	0.55
7	A'	1274	1274	3.05	7.73	0.25	0.41
8	A'	1147	1147	80.07	24.98	0.40	0.57
9	A'	895	895	27.54	0.25	0.34	0.51
10	A'	614	614	1.51	10.35	0.11	0.20
11	A'	346	346	1.02	0.85	0.66	0.80
12	A"	1024	1024	17.35	3.44	0.75	0.86
13	A"	1001	1001	38.25	0.22	0.75	0.86
14	A"	680	680	0.93	0.71	0.75	0.86
15	A"	183	183	0.10	0.28	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.215	1.212
C2	0.000	0.649
N3	-0.050	-0.775
O4	-1.180	-1.225
H5	2.103	0.579
H6	1.347	2.293
H7	-0.952	1.187

	C1	C2	N3	O4	H5	H6	H7
C1		1.3395	2.3555	3.4172	1.0904	1.0889	2.1677
C2	1.3395		1.4243	2.2146	2.1040	2.1254	1.0939
N3	2.3555	1.4243		1.2160	2.5430	3.3707	2.1593
O4	3.4172	2.2146	1.2160		3.7455	4.3315	2.4234
H5	1.0904	2.1040	2.5430	3.7455		1.8737	3.1151
H6	1.0889	2.1254	3.3707	4.3315	1.8737		2.5512
H7	2.1677	1.0939	2.1593	2.4234	3.1151	2.5512

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.888	C1	C2	H7	125.648
C2	C1	H5	119.615	C2	C1	H6	121.804
C2	N3	O4	113.784	N3	C2	H7	117.465
H5	C1	H6	118.581

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3PW91/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	0.222
2	C	2.043
3	N	0.207
4	O	-0.336
5	H	-0.667
6	H	-0.730
7	H	-0.739

	x	y	z	Total
	1.476	3.003	0.000	3.346
CHELPG
AIM
ESP

	x	y	z
x	7.500	2.091	0.000
y	2.091	7.217	0.000
z	0.000	0.000	3.908

<r²>	76.271
(<r²>)^1/2	8.733

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3PW91/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)