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	hartrees
Energy at 0K	-207.877317
Energy at 298.15K
HF Energy	-207.877317
Nuclear repulsion energy	105.021113

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'	3254	3254	0.31	58.58	0.67	0.80
2	A'	3162	3162	4.01	176.55	0.11	0.20
3	A'	3146	3146	4.00	19.85	0.75	0.85
4	A'	1684	1684	4.27	32.71	0.06	0.11
5	A'	1600	1600	139.59	83.43	0.39	0.56
6	A'	1410	1410	25.75	21.45	0.37	0.54
7	A'	1281	1281	2.15	8.42	0.25	0.40
8	A'	1144	1144	79.04	26.41	0.39	0.56
9	A'	893	893	32.05	0.32	0.71	0.83
10	A'	615	615	1.21	10.03	0.10	0.19
11	A'	348	348	1.04	0.80	0.67	0.80
12	A"	1013	1013	8.15	3.61	0.75	0.86
13	A"	1003	1003	46.88	0.27	0.75	0.86
14	A"	682	682	0.95	0.67	0.75	0.86
15	A"	178	178	0.10	0.26	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.205	1.211
C2	0.000	0.648
N3	-0.049	-0.772
O4	-1.170	-1.225
H5	2.088	0.583
H6	1.335	2.285
H7	-0.947	1.181

	C1	C2	N3	O4	H5	H6	H7
C1		1.3299	2.3466	3.4022	1.0834	1.0816	2.1527
C2	1.3299		1.4215	2.2087	2.0888	2.1119	1.0867
N3	2.3466	1.4215		1.2089	2.5305	3.3558	2.1496
O4	3.4022	2.2087	1.2089		3.7259	4.3120	2.4158
H5	1.0834	2.0888	2.5305	3.7259		1.8609	3.0935
H6	1.0816	2.1119	3.3558	4.3120	1.8609		2.5355
H7	2.1527	1.0867	2.1496	2.4158	3.0935	2.5355

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.011	C1	C2	H7	125.643
C2	C1	H5	119.538	C2	C1	H6	121.933
C2	N3	O4	113.965	N3	C2	H7	117.346
H5	C1	H6	118.529

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B3PW91/daug-cc-pVTZ

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	-1.022
2	C	0.060
3	N	-0.361
4	O	-0.772
5	H	0.540
6	H	0.355
7	H	1.199

	x	y	z	Total
	1.432	2.962	0.000	3.290
CHELPG
AIM
ESP

	x	y	z
x	7.394	2.042	0.000
y	2.042	7.123	0.000
z	0.000	0.000	3.873

<r²>	75.687
(<r²>)^1/2	8.700

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B3PW91/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)