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	hartrees
Energy at 0K	-359.956826
Energy at 298.15K
HF Energy	-359.179581
Nuclear repulsion energy	318.840050

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3220	3081	13.01
2	A'	3215	3076	11.38
3	A'	3203	3065	10.78
4	A'	3195	3057	5.94
5	A'	3185	3047	0.35
6	A'	1629	1559	1.92
7	A'	1620	1550	11.22
8	A'	1521	1455	0.78
9	A'	1501	1436	9.61
10	A'	1398	1337	6.24
11	A'	1370	1311	0.56
12	A'	1308	1252	26.67
13	A'	1231	1177	0.89
14	A'	1228	1175	0.74
15	A'	1168	1117	81.66
16	A'	1114	1066	2.28
17	A'	1047	1001	5.12
18	A'	1020	976	1.93
19	A'	817	782	23.13
20	A'	677	648	8.00
21	A'	636	608	0.01
22	A'	449	429	0.51
23	A'	258	247	1.85
24	A"	877	839	0.01
25	A"	872	834	0.59
26	A"	856	819	0.71
27	A"	813	778	0.00
28	A"	722	691	104.48
29	A"	484	463	1.03
30	A"	448	428	1.28
31	A"	397	380	0.00
32	A"	234	224	0.86
33	A"	102	98	0.01

Atom	x (Å)	y (Å)
C1	0.000	0.599
C2	-1.059	-0.337
C3	-0.750	-1.710
C4	0.600	-2.139
C5	1.648	-1.191
C6	1.349	0.187
N7	-0.188	2.053
O8	-1.426	2.424
H9	-2.091	0.016
H10	-1.554	-2.447
H11	0.830	-3.205
H12	2.686	-1.525
H13	2.132	0.946

	C1	C2	C3	C4	C5	C6	N7	O8	H9	H10	H11	H12	H13
C1		1.4136	2.4279	2.8029	2.4334	1.4106	1.4658	2.3163	2.1703	3.4198	3.8935	3.4244	2.1604
C2	1.4136		1.4076	2.4497	2.8392	2.4646	2.5434	2.7854	1.0898	2.1677	3.4347	3.9294	3.4399
C3	2.4279	1.4076		1.4167	2.4538	2.8292	3.8045	4.1892	2.1853	1.0905	2.1756	3.4413	3.9196
C4	2.8029	2.4497	1.4167		1.4129	2.4433	4.2651	4.9928	3.4471	2.1757	1.0906	2.1745	3.4443
C5	2.4334	2.8392	2.4538	1.4129		1.4102	3.7278	4.7459	3.9287	3.4394	2.1732	1.0902	2.1913
C6	1.4106	2.4646	2.8292	2.4433	1.4102		2.4176	3.5648	3.4437	3.9198	3.4310	2.1721	1.0908
N7	1.4658	2.5434	3.8045	4.2651	3.7278	2.4176		1.2923	2.7869	4.7028	5.3554	4.5893	2.5711
O8	2.3163	2.7854	4.1892	4.9928	4.7459	3.5648	1.2923		2.4983	4.8735	6.0646	5.7014	3.8533
H9	2.1703	1.0898	2.1853	3.4471	3.9287	3.4437	2.7869	2.4983		2.5213	4.3481	5.0190	4.3240
H10	3.4198	2.1677	1.0905	2.1757	3.4394	3.9198	4.7028	4.8735	2.5213		2.5016	4.3389	5.0101
H11	3.8935	3.4347	2.1756	1.0906	2.1732	3.4310	5.3554	6.0646	4.3481	2.5016		2.5029	4.3500
H12	3.4244	3.9294	3.4413	2.1745	1.0902	2.1721	4.5893	5.7014	5.0190	4.3389	2.5029		2.5321
H13	2.1604	3.4399	3.9196	3.4443	2.1913	1.0908	2.5711	3.8533	4.3240	5.0101	4.3500	2.5321

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	118.770	C1	C2	H9	119.651
C1	C6	C5	119.242	C1	C6	H13	118.907
C1	N7	O8	114.091	C2	C1	C6	121.548
C2	C1	N7	124.078	C2	C3	C4	120.307
C2	C3	H10	119.858	C3	C2	H9	121.579
C3	C4	C5	120.265	C3	C4	H11	119.821
C4	C3	H10	119.834	C4	C5	C6	119.868
C4	C5	H12	120.060	C5	C4	H11	119.914
C5	C6	H13	121.850	C6	C1	N7	114.374
C6	C5	H12	120.072

All results from a given calculation for C₆H₅NO (nitrosobenzene)

using model chemistry: MP2/6-31G

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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All results from a given calculation for C6H5NO (nitrosobenzene)

using model chemistry: MP2/6-31G

States and conformations

All results from a given calculation for C₆H₅NO (nitrosobenzene)