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	hartrees
Energy at 0K	-206.764770
Energy at 298.15K
HF Energy	-206.764770
Nuclear repulsion energy	106.357039

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'	3399	3080	1.57	55.36	0.68	0.81
2	A'	3336	3023	4.61	106.58	0.24	0.39
3	A'	3304	2995	1.94	49.80	0.13	0.23
4	A'	1898	1721	172.96	70.46	0.40	0.57
5	A'	1829	1658	7.13	131.31	0.18	0.31
6	A'	1538	1394	15.71	28.04	0.36	0.53
7	A'	1399	1268	1.04	13.59	0.26	0.42
8	A'	1266	1148	63.86	36.26	0.48	0.65
9	A'	979	888	20.93	1.53	0.75	0.86
10	A'	664	602	3.85	6.12	0.17	0.29
11	A'	384	348	2.23	0.45	0.68	0.81
12	A"	1133	1027	25.96	8.20	0.75	0.86
13	A"	1095	992	43.56	1.22	0.75	0.86
14	A"	753	682	2.61	3.41	0.75	0.86
15	A"	185	167	0.00	0.48	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.186	1.210
C2	0.000	0.644
N3	-0.057	-0.779
O4	-1.144	-1.216
H5	2.074	0.608
H6	1.298	2.277
H7	-0.940	1.165

	C1	C2	N3	O4	H5	H6	H7
C1		1.3142	2.3454	3.3638	1.0731	1.0721	2.1263
C2	1.3142		1.4241	2.1837	2.0743	2.0853	1.0743
N3	2.3454	1.4241		1.1718	2.5421	3.3420	2.1346
O4	3.3638	2.1837	1.1718		3.6987	4.2612	2.3893
H5	1.0731	2.0743	2.5421	3.6987		1.8406	3.0648
H6	1.0721	2.0853	3.3420	4.2612	1.8406		2.4985
H7	2.1263	1.0743	2.1346	2.3893	3.0648	2.4985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.798	C1	C2	H7	125.507
C2	C1	H5	120.324	C2	C1	H6	121.488
C2	N3	O4	114.187	N3	C2	H7	116.694
H5	C1	H6	118.189

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: HF/Def2TZVPP

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	-0.076
2	C	-0.016
3	N	0.135
4	O	-0.324
5	H	0.098
6	H	0.099
7	H	0.085

	x	y	z	Total
	1.402	2.805	0.000	3.136
CHELPG
AIM
ESP

	x	y	z
x	6.834	2.146	0.000
y	2.146	5.898	0.000
z	0.000	0.000	3.257

<r²>	74.648
(<r²>)^1/2	8.640

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)