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	hartrees
Energy at 0K	-258.224721
Energy at 298.15K	-258.230404
HF Energy	-258.224721
Nuclear repulsion energy	168.058270

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3695	3548	100.78
2	A'	3309	3177	1.42
3	A'	1544	1483	16.89
4	A'	1491	1431	9.32
5	A'	1341	1287	17.77
6	A'	1294	1242	1.32
7	A'	1163	1117	12.69
8	A'	1101	1057	25.28
9	A'	1086	1043	24.33
10	A'	1026	985	1.32
11	A'	991	951	3.66
12	A"	878	843	16.79
13	A"	752	722	11.38
14	A"	707	679	17.49
15	A"	630	605	76.17

Atom	x (Å)	y (Å)
C1	1.061	0.230
N2	0.000	1.046
N3	-1.110	0.301
N4	-0.718	-0.916
N5	0.629	-1.001
H6	2.086	0.553
H7	-0.060	2.050

	C1	N2	N3	N4	N5	H6	H7
C1		1.3383	2.1718	2.1159	1.3051	1.0751	2.1371
N2	1.3383		1.3368	2.0893	2.1419	2.1438	1.0053
N3	2.1718	1.3368		1.2786	2.1725	3.2060	2.0394
N4	2.1159	2.0893	1.2786		1.3494	3.1655	3.0376
N5	1.3051	2.1419	2.1725	1.3494		2.1306	3.1278
H6	1.0751	2.1438	3.2060	3.1655	2.1306		2.6168
H7	2.1371	1.0053	2.0394	3.0376	3.1278	2.6168

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.559	C1	N2	H7	131.001
C1	N5	N4	105.698	N2	C1	N5	108.242
N2	C1	H6	124.968	N2	N3	N4	106.019
N3	N2	H7	120.439	N3	N4	N5	111.482
N5	C1	H6	126.790

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

using model chemistry: B1B95/6-311G**

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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Number	Element	Mulliken
1	C	0.239
2	N	-0.297
3	N	-0.026
4	N	-0.087
5	N	-0.247
6	H	0.155
7	H	0.264

	x	y	z	Total
	2.495	4.775	0.000	5.387
CHELPG
AIM
ESP

	x	y	z
x	5.676	0.142	0.000
y	0.142	5.591	0.000
z	0.000	0.000	2.610

<r²>	69.403
(<r²>)^1/2	8.331

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

using model chemistry: B1B95/6-311G**

States and conformations

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