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	hartrees
Energy at 0K	-206.711824
Energy at 298.15K
HF Energy	-206.711824
Nuclear repulsion energy	105.852148

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'	3418	3113	1.30	56.27	0.68	0.81
2	A'	3351	3051	3.89	102.09	0.23	0.37
3	A'	3315	3019	1.76	52.86	0.10	0.18
4	A'	1900	1730	180.70	75.26	0.44	0.61
5	A'	1827	1664	10.16	158.69	0.17	0.28
6	A'	1524	1388	18.00	29.84	0.34	0.51
7	A'	1386	1262	0.77	12.47	0.20	0.34
8	A'	1267	1153	67.73	37.39	0.48	0.65
9	A'	978	890	19.21	1.37	0.71	0.83
10	A'	661	602	3.98	7.18	0.11	0.20
11	A'	381	347	2.11	0.43	0.60	0.75
12	A"	1124	1024	33.30	8.30	0.75	0.86
13	A"	1076	979	36.33	1.47	0.75	0.86
14	A"	743	677	2.97	1.68	0.75	0.86
15	A"	189	172	0.01	0.26	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.197	1.210
C2	0.000	0.645
N3	-0.058	-0.780
O4	-1.154	-1.215
H5	2.088	0.599
H6	1.312	2.283
H7	-0.944	1.172

	C1	C2	N3	O4	H5	H6	H7
C1		1.3233	2.3527	3.3775	1.0805	1.0797	2.1417
C2	1.3233		1.4267	2.1893	2.0885	2.0987	1.0817
N3	2.3527	1.4267		1.1791	2.5509	3.3560	2.1445
O4	3.3775	2.1893	1.1791		3.7149	4.2803	2.3969
H5	1.0805	2.0885	2.5509	3.7149		1.8548	3.0863
H6	1.0797	2.0987	3.3560	4.2803	1.8548		2.5150
H7	2.1417	1.0817	2.1445	2.3969	3.0863	2.5150

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.584	C1	C2	H7	125.574
C2	C1	H5	120.306	C2	C1	H6	121.370
C2	N3	O4	113.982	N3	C2	H7	116.841
H5	C1	H6	118.324

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: HF/aug-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	0.457
2	C	0.884
3	N	-0.106
4	O	-0.603
5	H	-0.192
6	H	-0.218
7	H	-0.221

	x	y	z	Total
	1.461	2.855	0.000	3.207
CHELPG
AIM
ESP

	x	y	z
x	7.157	2.121	0.000
y	2.121	6.342	0.000
z	0.000	0.000	3.767

<r²>	75.246
(<r²>)^1/2	8.674

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)