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	hartrees
Energy at 0K	-257.800983
Energy at 298.15K	-257.806627
HF Energy	-256.844704
Nuclear repulsion energy	167.312616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3718	3553	108.41
2	A'	3320	3172	1.21
3	A'	1546	1477	17.99
4	A'	1495	1429	12.67
5	A'	1345	1285	16.54
6	A'	1294	1237	0.51
7	A'	1165	1113	16.56
8	A'	1083	1035	26.96
9	A'	1064	1017	18.39
10	A'	1021	976	0.45
11	A'	979	935	2.99
12	A"	905	865	16.42
13	A"	749	715	8.73
14	A"	698	666	5.31
15	A"	568	543	86.15

Atom	x (Å)	y (Å)
C1	1.062	0.233
N2	0.000	1.052
N3	-1.115	0.299
N4	-0.724	-0.920
N5	0.639	-1.005
H6	2.085	0.558
H7	-0.059	2.053

	C1	N2	N3	N4	N5	H6	H7
C1		1.3413	2.1780	2.1255	1.3079	1.0739	2.1378
N2	1.3413		1.3455	2.1009	2.1540	2.1430	1.0027
N3	2.1780	1.3455		1.2805	2.1857	3.2108	2.0473
N4	2.1255	2.1009	1.2805		1.3654	3.1743	3.0466
N5	1.3079	2.1540	2.1857	1.3654		2.1295	3.1367
H6	1.0739	2.1430	3.2108	3.1743	2.1295		2.6140
H7	2.1378	1.0027	2.0473	3.0466	3.1367	2.6140

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.311	C1	N2	H7	131.031
C1	N5	N4	105.305	N2	C1	N5	108.790
N2	C1	H6	124.704	N2	N3	N4	106.242
N3	N2	H7	120.658	N3	N4	N5	111.353
N5	C1	H6	126.506

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

using model chemistry: QCISD/cc-pVTZ

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/cc-pVTZ

States and conformations

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