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	hartrees
Energy at 0K	-207.695972
Energy at 298.15K
HF Energy	-207.486900
Nuclear repulsion energy	104.146886

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'	3311	3153	0.46	61.98	0.68	0.81
2	A'	3217	3064	4.63	160.76	0.17	0.29
3	A'	3202	3049	1.67	21.57	0.37	0.54
4	A'	1681	1601	2.60	50.82	0.11	0.20
5	A'	1519	1447	106.53	63.22	0.42	0.59
6	A'	1436	1367	25.68	29.11	0.40	0.57
7	A'	1300	1238	1.18	9.97	0.26	0.41
8	A'	1164	1109	80.30	31.82	0.45	0.62
9	A'	911	868	30.62	0.41	0.75	0.86
10	A'	615	585	1.77	9.02	0.14	0.25
11	A'	353	336	1.15	0.69	0.72	0.84
12	A"	1003	955	65.84	0.95	0.75	0.86
13	A"	996	948	0.80	3.49	0.75	0.86
14	A"	683	650	1.09	1.66	0.75	0.86
15	A"	177	168	0.10	0.43	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.213	1.221
C2	0.000	0.649
N3	-0.040	-0.775
O4	-1.185	-1.232
H5	2.100	0.598
H6	1.335	2.296
H7	-0.951	1.174

	C1	C2	N3	O4	H5	H6	H7
C1		1.3411	2.3565	3.4308	1.0834	1.0818	2.1647
C2	1.3411		1.4246	2.2235	2.1004	2.1198	1.0865
N3	2.3565	1.4246		1.2336	2.5424	3.3644	2.1518
O4	3.4308	2.2235	1.2336		3.7609	4.3356	2.4178
H5	1.0834	2.1004	2.5424	3.7609		1.8618	3.1048
H6	1.0818	2.1198	3.3644	4.3356	1.8618		2.5462
H7	2.1647	1.0865	2.1518	2.4178	3.1048	2.5462

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.835	C1	C2	H7	125.852
C2	C1	H5	119.697	C2	C1	H6	121.695
C2	N3	O4	113.348	N3	C2	H7	117.313
H5	C1	H6	118.609

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B2PLYP/6-31+G**

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	-0.148
2	C	-0.155
3	N	-0.098
4	O	-0.103
5	H	0.175
6	H	0.161
7	H	0.168

	x	y	z	Total
	1.478	3.115	0.000	3.448
CHELPG
AIM
ESP

	x	y	z
x	7.209	2.259	0.001
y	2.259	6.735	0.002
z	0.001	0.002	3.271

<r²>	76.840
(<r²>)^1/2	8.766

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B2PLYP/6-31+G**

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)