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	hartrees
Energy at 0K	-204.867822
Energy at 298.15K
HF Energy	-204.772477
Nuclear repulsion energy	100.001243

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'	3586	3586	1.44	40.36	0.73	0.84
2	A'	3464	3464	0.01	59.66	0.19	0.32
3	A'	3425	3425	25.60	27.00	0.20	0.33
4	A'	1783	1783	3.12	11.29	0.14	0.25
5	A'	1533	1533	2.87	23.28	0.45	0.62
6	A'	1473	1473	5.37	6.79	0.15	0.27
7	A'	1359	1359	0.89	8.25	0.66	0.79
8	A'	1147	1147	28.35	11.98	0.73	0.84
9	A'	893	893	33.10	0.83	0.44	0.61
10	A'	552	552	0.05	5.03	0.34	0.50
11	A'	314	314	0.08	0.22	0.74	0.85
12	A"	1085	1085	12.42	0.16	0.75	0.86
13	A"	1011	1011	12.90	0.17	0.75	0.86
14	A"	625	625	0.25	5.39	0.75	0.86
15	A"	134	134	0.49	1.06	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.166	1.344
C2	0.000	0.679
N3	0.029	-0.861
O4	-1.192	-1.315
H5	2.120	0.802
H6	1.212	2.441
H7	-0.990	1.163

	C1	C2	N3	O4	H5	H6	H7
C1		1.3423	2.4811	3.5539	1.0975	1.0971	2.1637
C2	1.3423		1.5398	2.3229	2.1233	2.1385	1.1026
N3	2.4811	1.5398		1.3023	2.6717	3.5071	2.2662
O4	3.5539	2.3229	1.3023		3.9306	4.4591	2.4865
H5	1.0975	2.1233	2.6717	3.9306		1.8730	3.1311
H6	1.0971	2.1385	3.5071	4.4591	1.8730		2.5461
H7	2.1637	1.1026	2.2662	2.4865	3.1311	2.5461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	118.664	C1	C2	H7	124.203
C2	C1	H5	120.660	C2	C1	H6	122.162
C2	N3	O4	109.350	N3	C2	H7	117.132
H5	C1	H6	117.179

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B2PLYP/STO-3G

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	-0.129
2	C	-0.033
3	N	-0.033
4	O	-0.063
5	H	0.092
6	H	0.086
7	H	0.082

	x	y	z	Total
	0.231	1.727	0.000	1.742
CHELPG
AIM
ESP

	x	y	z
x	3.692	1.580	-0.000
y	1.580	3.616	0.000
z	-0.000	0.000	0.756

<r²>	80.217
(<r²>)^1/2	8.956

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B2PLYP/STO-3G

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)