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	hartrees
Energy at 0K	-257.631876
Energy at 298.15K	-257.637492
HF Energy	-256.805881
Nuclear repulsion energy	166.747039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3722	3563	91.92
2	A'	3301	3160	0.57
3	A'	1551	1485	21.72
4	A'	1501	1437	11.61
5	A'	1348	1291	19.34
6	A'	1295	1240	0.19
7	A'	1166	1116	14.97
8	A'	1095	1048	27.98
9	A'	1071	1026	20.49
10	A'	1024	980	0.55
11	A'	982	940	2.92
12	A"	872	835	21.51
13	A"	738	707	9.98
14	A"	694	665	9.91
15	A"	562	538	99.12

Atom	x (Å)	y (Å)
C1	1.067	0.233
N2	0.000	1.056
N3	-1.119	0.301
N4	-0.726	-0.922
N5	0.640	-1.008
H6	2.097	0.558
H7	-0.063	2.060

	C1	N2	N3	N4	N5	H6	H7
C1		1.3476	2.1866	2.1328	1.3124	1.0805	2.1486
N2	1.3476		1.3492	2.1071	2.1608	2.1557	1.0063
N3	2.1866	1.3492		1.2851	2.1922	3.2261	2.0511
N4	2.1328	2.1071	1.2851		1.3683	3.1878	3.0551
N5	1.3124	2.1608	2.1922	1.3683		2.1394	3.1478
H6	1.0805	2.1557	3.2261	3.1878	2.1394		2.6316
H7	2.1486	1.0063	2.0511	3.0551	3.1478	2.6316

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.352	C1	N2	H7	131.249
C1	N5	N4	105.403	N2	C1	N5	108.645
N2	C1	H6	124.847	N2	N3	N4	106.216
N3	N2	H7	120.400	N3	N4	N5	111.384
N5	C1	H6	126.507

All results from a given calculation for CH₂N₄ (1H-Tetrazole)

using model chemistry: QCISD/6-311G*

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 CH2N4 (1H-Tetrazole)

using model chemistry: QCISD/6-311G*

States and conformations

All results from a given calculation for CH₂N₄ (1H-Tetrazole)