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	hartrees
Energy at 0K	-189.223466
Energy at 298.15K	-189.230908
HF Energy	-189.223466
Nuclear repulsion energy	120.285168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3166	3002	0.00
2	A_g	3067	2909	0.00
3	A_g	1727	1638	0.00
4	A_g	1503	1425	0.00
5	A_g	1437	1362	0.00
6	A_g	1238	1174	0.00
7	A_g	950	901	0.00
8	A_g	604	572	0.00
9	A_u	3154	2991	26.22
10	A_u	1505	1427	15.11
11	A_u	1153	1093	0.27
12	A_u	294	279	7.24
13	A_u	166	157	3.08
14	B_g	3154	2991	0.00
15	B_g	1504	1426	0.00
16	B_g	1051	997	0.00
17	B_g	232	220	0.00
18	B_u	3165	3001	34.26
19	B_u	3066	2907	45.40
20	B_u	1510	1432	26.05
21	B_u	1438	1364	1.95
22	B_u	1158	1098	0.29
23	B_u	1057	1003	9.30
24	B_u	353	335	14.92

Atom	x (Å)	y (Å)	z (Å)
N1	0.371	0.495	0.000
N2	-0.371	-0.495	0.000
C3	-0.371	1.749	0.000
C4	0.371	-1.749	0.000
H5	-1.455	1.592	0.000
H6	1.455	-1.592	0.000
H7	-0.066	2.322	0.881
H8	-0.066	2.322	-0.881
H9	0.066	-2.322	0.881
H10	0.066	-2.322	-0.881

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2383	1.4571	2.2442	2.1300	2.3517	2.0747	2.0747	2.9677	2.9677
N2	1.2383		2.2442	1.4571	2.3517	2.1300	2.9677	2.9677	2.0747	2.0747
C3	1.4571	2.2442		3.5758	1.0944	3.8074	1.0944	1.0944	4.1881	4.1881
C4	2.2442	1.4571	3.5758		3.8074	1.0944	4.1881	4.1881	1.0944	1.0944
H5	2.1300	2.3517	1.0944	3.8074		4.3129	1.7989	1.7989	4.2906	4.2906
H6	2.3517	2.1300	3.8074	1.0944	4.3129		4.2906	4.2906	1.7989	1.7989
H7	2.0747	2.9677	1.0944	4.1881	1.7989	4.2906		1.7618	4.6461	4.9689
H8	2.0747	2.9677	1.0944	4.1881	1.7989	4.2906	1.7618		4.9689	4.6461
H9	2.9677	2.0747	4.1881	1.0944	4.2906	1.7989	4.6461	4.9689		1.7618
H10	2.9677	2.0747	4.1881	1.0944	4.2906	1.7989	4.9689	4.6461	1.7618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.484	N1	C3	H5	112.415
N1	C3	H7	107.967	N1	C3	H8	107.967
N2	N1	C3	112.484	N2	C4	H6	112.415
N2	C4	H9	107.967	N2	C4	H10	107.967
H5	C3	H7	110.547	H5	C3	H8	110.547
H6	C4	H9	110.547	H6	C4	H10	110.547
H7	C3	H8	107.205	H9	C4	H10	107.205

All results from a given calculation for CH₃NNCH₃ ((E)-1,2-Dimethyldiazene)

using model chemistry: mPW1PW91/6-31G*

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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Number	Element	Mulliken
1	N	-0.183
2	N	-0.183
3	C	-0.384
4	C	-0.384
5	H	0.182
6	H	0.182
7	H	0.192
8	H	0.192
9	H	0.192
10	H	0.192

	x	y	z
x	4.527	-0.148	0.000
y	-0.148	7.940	0.000
z	0.000	0.000	3.985

<r²>	92.549
(<r²>)^1/2	9.620

All results from a given calculation for CH3NNCH3 ((E)-1,2-Dimethyldiazene)

using model chemistry: mPW1PW91/6-31G*

States and conformations

All results from a given calculation for CH₃NNCH₃ ((E)-1,2-Dimethyldiazene)