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	hartrees
Energy at 0K	-206.592494
Energy at 298.15K	-206.602537
HF Energy	-206.592494
Nuclear repulsion energy	137.200676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3574	3446	0.96
2	A	3475	3351	4.23
3	A	3057	2947	28.31
4	A	1650	1591	63.49
5	A	1343	1295	2.75
6	A	906	874	18.73
7	A	839	809	12.57
8	A	556	536	12.30
9	A	314	303	65.37
10	E	3574	3446	0.99
10	E	3574	3446	0.99
11	E	3478	3353	0.49
11	E	3478	3353	0.49
12	E	1659	1599	34.33
12	E	1659	1599	34.33
13	E	1413	1362	27.15
13	E	1413	1362	27.14
14	E	1206	1163	58.72
14	E	1206	1163	58.72
15	E	1030	993	61.83
15	E	1030	993	61.82
16	E	859	828	233.90
16	E	859	828	233.91
17	E	443	427	42.50
17	E	443	427	42.50
18	E	265	255	25.53
18	E	265	255	25.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.364
H2	0.000	0.000	1.461
N3	0.000	1.400	-0.055
N4	1.213	-0.700	-0.055
N5	-1.213	-0.700	-0.055
H6	0.863	1.853	0.238
H7	1.173	-1.674	0.238
H8	-2.037	-0.179	0.238
H9	-0.061	1.476	-1.070
H10	1.309	-0.685	-1.070
H11	-1.247	-0.791	-1.070

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0965	1.4618	1.4618	1.4618	2.0485	2.0485	2.0485	2.0586	2.0586	2.0586
H2	1.0965		2.0637	2.0637	2.0637	2.3822	2.3822	2.3822	2.9300	2.9300	2.9300
N3	1.4618	2.0637		2.4253	2.4253	1.0182	3.3040	2.5939	1.0192	2.6626	2.7178
N4	1.4618	2.0637	2.4253		2.4253	2.5939	1.0182	3.3040	2.7178	1.0192	2.6626
N5	1.4618	2.0637	2.4253	2.4253		3.3040	2.5939	1.0182	2.6626	2.7178	1.0192
H6	2.0485	2.3822	1.0182	2.5939	3.3040		3.5413	3.5413	1.6456	2.8899	3.6274
H7	2.0485	2.3822	3.3040	1.0182	2.5939	3.5413		3.5413	3.6274	1.6456	2.8899
H8	2.0485	2.3822	2.5939	3.3040	1.0182	3.5413	3.5413		2.8899	3.6274	1.6456
H9	2.0586	2.9300	1.0192	2.7178	2.6626	1.6456	3.6274	2.8899		2.5583	2.5583
H10	2.0586	2.9300	2.6626	1.0192	2.7178	2.8899	1.6456	3.6274	2.5583		2.5583
H11	2.0586	2.9300	2.7178	2.6626	1.0192	3.6274	2.8899	1.6456	2.5583	2.5583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.096	C1	N3	H9	110.890
C1	N4	H7	110.096	C1	N4	H10	110.890
C1	N5	H8	110.096	C1	N5	H11	110.890
H2	C1	N3	106.676	H2	C1	N4	106.676
H2	C1	N5	106.676	N3	C1	N4	112.116
N3	C1	N5	112.116	N4	C1	N5	112.116
H6	N3	H9	107.743	H7	N4	H10	107.743
H8	N5	H11	107.743

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B3LYP/6-31+G**

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	-0.043
2	H	0.133
3	N	-0.601
4	N	-0.601
5	N	-0.601
6	H	0.296
7	H	0.296
8	H	0.296
9	H	0.275
10	H	0.275
11	H	0.275

	x	y	z
x	6.458	0.000	-0.000
y	0.000	6.458	-0.000
z	-0.000	-0.000	5.747

<r²>	83.501
(<r²>)^1/2	9.138

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: B3LYP/6-31+G**

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)