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	hartrees
Energy at 0K	-207.674526
Energy at 298.15K
HF Energy	-207.674526
Nuclear repulsion energy	105.031038

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'	3284	3145	0.35	55.77	0.68	0.81
2	A'	3190	3055	4.06	147.14	0.16	0.27
3	A'	3172	3038	2.97	15.55	0.61	0.76
4	A'	1710	1638	9.91	9.05	0.09	0.17
5	A'	1650	1580	112.86	75.69	0.27	0.42
6	A'	1410	1350	22.43	18.18	0.41	0.58
7	A'	1279	1225	2.18	6.45	0.51	0.68
8	A'	1157	1108	67.76	21.12	0.50	0.66
9	A'	898	860	25.04	0.18	0.12	0.22
10	A'	620	594	1.77	6.95	0.22	0.37
11	A'	340	326	1.25	0.73	0.65	0.78
12	A"	1020	977	21.80	0.29	0.75	0.86
13	A"	1010	967	23.68	1.21	0.75	0.86
14	A"	691	661	0.36	5.31	0.75	0.86
15	A"	182	174	0.08	1.23	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.204	1.212
C2	0.000	0.645
N3	-0.047	-0.777
O4	-1.171	-1.219
H5	2.087	0.581
H6	1.338	2.288
H7	-0.953	1.172

	C1	C2	N3	O4	H5	H6	H7
C1		1.3309	2.3495	3.3989	1.0856	1.0837	2.1574
C2	1.3309		1.4226	2.2016	2.0882	2.1186	1.0887
N3	2.3495	1.4226		1.2082	2.5292	3.3627	2.1487
O4	3.3989	2.2016	1.2082		3.7224	4.3120	2.4006
H5	1.0856	2.0882	2.5292	3.7224		1.8638	3.0970
H6	1.0837	2.1186	3.3627	4.3120	1.8638		2.5486
H7	2.1574	1.0887	2.1487	2.4006	3.0970	2.5486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.101	C1	C2	H7	125.869
C2	C1	H5	119.227	C2	C1	H6	122.331
C2	N3	O4	113.362	N3	C2	H7	117.030
H5	C1	H6	118.442

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: HSEh1PBE/6-31G(2df,p)

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	-0.334
2	C	0.065
3	N	0.033
4	O	-0.255
5	H	0.175
6	H	0.173
7	H	0.144

	x	y	z	Total
	1.292	2.750	0.000	3.039
CHELPG
AIM
ESP

	x	y	z
x	6.366	2.016	0.000
y	2.016	6.055	0.000
z	0.000	0.000	2.494

<r²>	75.214
(<r²>)^1/2	8.673

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)