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	hartrees
Energy at 0K	-207.924265
Energy at 298.15K
HF Energy	-207.924265
Nuclear repulsion energy	104.136826

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'	3260	3260	1.68	65.62	0.68	0.81
2	A'	3161	3161	6.13	189.86	0.12	0.22
3	A'	3144	3144	6.02	22.49	0.61	0.76
4	A'	1665	1665	1.45	40.57	0.08	0.14
5	A'	1551	1551	134.84	68.58	0.43	0.60
6	A'	1414	1414	24.73	26.10	0.36	0.53
7	A'	1278	1278	2.27	8.60	0.23	0.38
8	A'	1139	1139	81.81	25.69	0.39	0.57
9	A'	888	888	29.80	0.26	0.37	0.55
10	A'	601	601	1.35	10.98	0.11	0.19
11	A'	336	336	1.02	0.94	0.69	0.81
12	A"	1023	1023	28.45	3.13	0.75	0.86
13	A"	1002	1002	24.73	0.43	0.75	0.86
14	A"	674	674	0.74	0.65	0.75	0.86
15	A"	184	184	0.10	0.28	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.220	1.214
C2	0.000	0.651
N3	-0.047	-0.776
O4	-1.187	-1.227
H5	2.106	0.579
H6	1.355	2.294
H7	-0.952	1.188

	C1	C2	N3	O4	H5	H6	H7
C1		1.3434	2.3592	3.4283	1.0900	1.0886	2.1723
C2	1.3434		1.4281	2.2221	2.1071	2.1296	1.0933
N3	2.3592	1.4281		1.2261	2.5439	3.3753	2.1630
O4	3.4283	2.2221	1.2261		3.7559	4.3431	2.4269
H5	1.0900	2.1071	2.5439	3.7559		1.8723	3.1183
H6	1.0886	2.1296	3.3753	4.3431	1.8723		2.5586
H7	2.1723	1.0933	2.1630	2.4269	3.1183	2.5586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.655	C1	C2	H7	125.811
C2	C1	H5	119.607	C2	C1	H6	121.896
C2	N3	O4	113.470	N3	C2	H7	117.534
H5	C1	H6	118.497

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: TPSSh/daug-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	0.184
2	C	1.960
3	N	0.154
4	O	-0.296
5	H	-0.633
6	H	-0.698
7	H	-0.672

	x	y	z	Total
	1.504	3.031	0.000	3.384
CHELPG
AIM
ESP

	x	y	z
x	7.627	2.118	0.000
y	2.118	7.375	0.000
z	0.000	0.000	3.942

<r²>	76.662
(<r²>)^1/2	8.756

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: TPSSh/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)