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	hartrees
Energy at 0K	-206.368700
Energy at 298.15K	-206.378734
HF Energy	-206.368700
Nuclear repulsion energy	137.886216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3591	3453	1.11
2	A	3494	3359	3.63
3	A	3062	2945	26.76
4	A	1623	1561	48.85
5	A	1343	1291	1.23
6	A	922	887	11.90
7	A	853	821	8.93
8	A	552	531	10.92
9	A	295	284	57.33
10	E	3591	3453	1.00
10	E	3591	3453	1.01
11	E	3497	3363	0.87
11	E	3497	3363	0.88
12	E	1634	1571	31.02
12	E	1633	1571	31.03
13	E	1402	1349	21.67
13	E	1402	1348	21.50
14	E	1223	1176	57.07
14	E	1223	1176	57.20
15	E	1052	1011	39.53
15	E	1051	1011	39.49
16	E	878	845	194.50
16	E	878	844	193.99
17	E	440	423	38.14
17	E	440	423	38.24
18	E	254	244	19.04
18	E	252	242	19.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.365
H2	0.000	0.000	1.467
N3	0.000	1.392	-0.053
N4	1.206	-0.696	-0.053
N5	-1.206	-0.696	-0.053
H6	0.877	1.830	0.222
H7	1.146	-1.675	0.222
H8	-2.023	-0.155	0.222
H9	-0.051	1.450	-1.069
H10	1.281	-0.681	-1.069
H11	-1.230	-0.769	-1.069

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1013	1.4539	1.4539	1.4539	2.0343	2.0343	2.0343	2.0405	2.0405	2.0405
H2	1.1013		2.0611	2.0611	2.0611	2.3805	2.3805	2.3805	2.9217	2.9217	2.9217
N3	1.4539	2.0611		2.4117	2.4117	1.0180	3.2857	2.5623	1.0192	2.6408	2.6868
N4	1.4539	2.0611	2.4117		2.4117	2.5623	1.0180	3.2857	2.6868	1.0192	2.6408
N5	1.4539	2.0611	2.4117	2.4117		3.2857	2.5623	1.0180	2.6408	2.6868	1.0192
H6	2.0343	2.3805	1.0180	2.5623	3.2857		3.5148	3.5148	1.6349	2.8525	3.5867
H7	2.0343	2.3805	3.2857	1.0180	2.5623	3.5148		3.5148	3.5867	1.6349	2.8525
H8	2.0343	2.3805	2.5623	3.2857	1.0180	3.5148	3.5148		2.8525	3.5867	1.6349
H9	2.0405	2.9217	1.0192	2.6868	2.6408	1.6349	3.5867	2.8525		2.5132	2.5132
H10	2.0405	2.9217	2.6408	1.0192	2.6868	2.8525	1.6349	3.5867	2.5132		2.5132
H11	2.0405	2.9217	2.6868	2.6408	1.0192	3.5867	2.8525	1.6349	2.5132	2.5132

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.503	C1	N3	H9	109.949
C1	N4	H7	109.503	C1	N4	H10	109.949
C1	N5	H8	109.503	C1	N5	H11	109.949
H2	C1	N3	106.724	H2	C1	N4	106.724
H2	C1	N5	106.724	N3	C1	N4	112.073
N3	C1	N5	112.073	N4	C1	N5	112.073
H6	N3	H9	106.741	H7	N4	H10	106.741
H8	N5	H11	106.741

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: PBE1PBE/aug-cc-pVDZ

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	0.832
2	H	-0.210
3	N	-0.137
4	N	-0.137
5	N	-0.137
6	H	-0.021
7	H	-0.021
8	H	-0.021
9	H	-0.049
10	H	-0.049
11	H	-0.049

	x	y	z	Total
	0.000	-0.000	-1.569	1.569
CHELPG
AIM
ESP

	x	y	z
x	6.912	0.000	-0.000
y	0.000	6.912	-0.000
z	-0.000	-0.000	6.153

<r²>	82.407
(<r²>)^1/2	9.078

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: PBE1PBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)