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	hartrees
Energy at 0K	-205.371413
Energy at 298.15K	-205.381720
HF Energy	-205.371413
Nuclear repulsion energy	138.983382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3797	3442	2.12
2	A	3712	3364	0.39
3	A	3203	2903	45.79
4	A	1781	1614	47.17
5	A	1458	1321	5.95
6	A	980	888	23.52
7	A	924	838	5.01
8	A	593	538	11.67
9	A	312	283	68.19
10	E	3797	3441	2.57
10	E	3797	3441	2.57
11	E	3712	3364	2.10
11	E	3712	3364	2.10
12	E	1790	1622	36.86
12	E	1790	1622	36.86
13	E	1547	1402	30.36
13	E	1547	1402	30.36
14	E	1310	1187	73.70
14	E	1310	1187	73.70
15	E	1125	1020	62.25
15	E	1125	1020	62.25
16	E	956	866	213.07
16	E	956	866	213.07
17	E	479	434	38.55
17	E	479	434	38.55
18	E	274	248	20.37
18	E	274	248	20.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.364
H2	0.000	0.000	1.446
N3	0.000	1.384	-0.058
N4	1.199	-0.692	-0.058
N5	-1.199	-0.692	-0.058
H6	0.837	1.836	0.247
H7	1.172	-1.643	0.247
H8	-2.009	-0.193	0.247
H9	-0.030	1.455	-1.055
H10	1.276	-0.701	-1.055
H11	-1.245	-0.754	-1.055

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0819	1.4471	1.4471	1.4471	2.0216	2.0216	2.0216	2.0331	2.0331	2.0331
H2	1.0819		2.0439	2.0439	2.0439	2.3477	2.3477	2.3477	2.8940	2.8940	2.8940
N3	1.4471	2.0439		2.3974	2.3974	0.9989	3.2604	2.5724	1.0004	2.6402	2.6677
N4	1.4471	2.0439	2.3974		2.3974	2.5724	0.9989	3.2604	2.6677	1.0004	2.6402
N5	1.4471	2.0439	2.3974	2.3974		3.2604	2.5724	0.9989	2.6402	2.6677	1.0004
H6	2.0216	2.3477	0.9989	2.5724	3.2604		3.4957	3.4957	1.6102	2.8857	3.5694
H7	2.0216	2.3477	3.2604	0.9989	2.5724	3.4957		3.4957	3.5694	1.6102	2.8857
H8	2.0216	2.3477	2.5724	3.2604	0.9989	3.4957	3.4957		2.8857	3.5694	1.6102
H9	2.0331	2.8940	1.0004	2.6677	2.6402	1.6102	3.5694	2.8857		2.5212	2.5212
H10	2.0331	2.8940	2.6402	1.0004	2.6677	2.8857	1.6102	3.5694	2.5212		2.5212
H11	2.0331	2.8940	2.6677	2.6402	1.0004	3.5694	2.8857	1.6102	2.5212	2.5212

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.136	C1	N3	H9	111.023
C1	N4	H7	110.136	C1	N4	H10	111.023
C1	N5	H8	110.136	C1	N5	H11	111.023
H2	C1	N3	106.955	H2	C1	N4	106.955
H2	C1	N5	106.955	N3	C1	N4	111.866
N3	C1	N5	111.866	N4	C1	N5	111.866
H6	N3	H9	107.292	H7	N4	H10	107.292
H8	N5	H11	107.292

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: HF/Def2TZVPP

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	0.381
2	H	0.037
3	N	-0.401
4	N	-0.401
5	N	-0.401
6	H	0.144
7	H	0.144
8	H	0.144
9	H	0.117
10	H	0.117
11	H	0.117

<r²>	81.281
(<r²>)^1/2	9.016

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)