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	hartrees
Energy at 0K	-203.805494
Energy at 298.15K	-203.815010
HF Energy	-203.805494
Nuclear repulsion energy	131.934511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3517	3517	43.45
2	A	3321	3321	22.92
3	A	3281	3281	0.67
4	A	1819	1819	11.26
5	A	1476	1476	0.12
6	A	1099	1099	1.68
7	A	829	829	3.63
8	A	497	497	12.90
9	A	245	245	99.10
10	E	3514	3514	7.01
10	E	3514	3514	7.01
11	E	3330	3330	25.61
11	E	3330	3330	25.62
12	E	1825	1825	1.94
12	E	1825	1825	1.94
13	E	1469	1469	21.56
13	E	1469	1469	21.54
14	E	1277	1277	34.20
14	E	1277	1277	34.22
15	E	1161	1161	12.22
15	E	1161	1161	12.23
16	E	915	915	97.52
16	E	915	915	97.54
17	E	384	384	25.34
17	E	384	384	25.35
18	E	257	257	16.99
18	E	257	257	17.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.383
H2	0.000	0.000	1.501
N3	0.000	1.467	-0.073
N4	1.271	-0.734	-0.073
N5	-1.271	-0.734	-0.073
H6	0.915	1.838	0.347
H7	1.135	-1.711	0.347
H8	-2.049	-0.127	0.347
H9	0.285	1.397	-1.106
H10	1.067	-0.946	-1.106
H11	-1.353	-0.452	-1.106

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1176	1.5364	1.5364	1.5364	2.0537	2.0537	2.0537	2.0621	2.0621	2.0621
H2	1.1176		2.1513	2.1513	2.1513	2.3552	2.3552	2.3552	2.9717	2.9717	2.9717
N3	1.5364	2.1513		2.5413	2.5413	1.0728	3.4011	2.6301	1.0747	2.8337	2.5652
N4	1.5364	2.1513	2.5413		2.5413	2.6301	1.0728	3.4011	2.5652	1.0747	2.8337
N5	1.5364	2.1513	2.5413	2.5413		3.4011	2.6301	1.0728	2.8337	2.5652	1.0747
H6	2.0537	2.3552	1.0728	2.6301	3.4011		3.5565	3.5565	1.6444	3.1443	3.5353
H7	2.0537	2.3552	3.4011	1.0728	2.6301	3.5565		3.5565	3.5353	1.6444	3.1443
H8	2.0537	2.3552	2.6301	3.4011	1.0728	3.5565	3.5565		3.1443	3.5353	1.6444
H9	2.0621	2.9717	1.0747	2.5652	2.8337	1.6444	3.5353	3.1443		2.4700	2.4700
H10	2.0621	2.9717	2.8337	1.0747	2.5652	3.1443	1.6444	3.5353	2.4700		2.4700
H11	2.0621	2.9717	2.5652	2.8337	1.0747	3.5353	3.1443	1.6444	2.4700	2.4700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	102.371	C1	N3	H9	102.893
C1	N4	H7	102.371	C1	N4	H10	102.894
C1	N5	H8	102.371	C1	N5	H11	102.894
H2	C1	N3	107.254	H2	C1	N4	107.254
H2	C1	N5	107.254	N3	C1	N4	111.594
N3	C1	N5	111.594	N4	C1	N5	111.594
H6	N3	H9	99.940	H7	N4	H10	99.940
H8	N5	H11	99.940

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B97D3/STO-3G

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	0.116
2	H	0.080
3	N	-0.359
4	N	-0.359
5	N	-0.359
6	H	0.156
7	H	0.156
8	H	0.156
9	H	0.138
10	H	0.138
11	H	0.138

	x	y	z
x	2.941	-0.000	-0.000
y	-0.000	2.941	-0.000
z	-0.000	-0.000	3.092

<r²>	86.441
(<r²>)^1/2	9.297

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: B97D3/STO-3G

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)