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	hartrees
Energy at 0K	-206.515105
Energy at 298.15K	-206.525173
HF Energy	-206.515105
Nuclear repulsion energy	137.638253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3603	3459	1.33
2	A	3499	3360	3.77
3	A	3063	2941	28.88
4	A	1650	1584	65.38
5	A	1347	1294	2.77
6	A	913	877	15.00
7	A	846	813	14.53
8	A	559	536	13.45
9	A	313	300	66.98
10	E	3603	3460	1.33
10	E	3603	3460	1.33
11	E	3503	3363	0.22
11	E	3503	3363	0.22
12	E	1659	1593	36.00
12	E	1659	1593	36.00
13	E	1412	1356	27.65
13	E	1412	1356	27.65
14	E	1215	1166	63.73
14	E	1215	1166	63.73
15	E	1042	1000	54.01
15	E	1042	1000	54.02
16	E	863	829	233.13
16	E	863	829	233.13
17	E	444	426	44.31
17	E	444	426	44.31
18	E	269	258	25.66
18	E	269	258	25.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.363
H2	0.000	0.000	1.460
N3	0.000	1.395	-0.055
N4	1.208	-0.698	-0.055
N5	-1.208	-0.698	-0.055
H6	0.863	1.846	0.240
H7	1.167	-1.670	0.240
H8	-2.030	-0.175	0.240
H9	-0.055	1.468	-1.069
H10	1.299	-0.686	-1.069
H11	-1.244	-0.782	-1.069

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0972	1.4562	1.4562	1.4562	2.0410	2.0410	2.0410	2.0509	2.0509	2.0509
H2	1.0972		2.0592	2.0592	2.0592	2.3748	2.3748	2.3748	2.9242	2.9242	2.9242
N3	1.4562	2.0592		2.4164	2.4164	1.0170	3.2930	2.5832	1.0180	2.6547	2.7043
N4	1.4562	2.0592	2.4164		2.4164	2.5832	1.0170	3.2930	2.7043	1.0180	2.6547
N5	1.4562	2.0592	2.4164	2.4164		3.2930	2.5832	1.0170	2.6547	2.7043	1.0180
H6	2.0410	2.3748	1.0170	2.5832	3.2930		3.5288	3.5288	1.6421	2.8830	3.6127
H7	2.0410	2.3748	3.2930	1.0170	2.5832	3.5288		3.5288	3.6127	1.6421	2.8830
H8	2.0410	2.3748	2.5832	3.2930	1.0170	3.5288	3.5288		2.8830	3.6127	1.6421
H9	2.0509	2.9242	1.0180	2.7043	2.6547	1.6421	3.6127	2.8830		2.5444	2.5444
H10	2.0509	2.9242	2.6547	1.0180	2.7043	2.8830	1.6421	3.6127	2.5444		2.5444
H11	2.0509	2.9242	2.7043	2.6547	1.0180	3.6127	2.8830	1.6421	2.5444	2.5444

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.959	C1	N3	H9	110.732
C1	N4	H7	109.959	C1	N4	H10	110.732
C1	N5	H8	109.959	C1	N5	H11	110.732
H2	C1	N3	106.654	H2	C1	N4	106.654
H2	C1	N5	106.654	N3	C1	N4	112.135
N3	C1	N5	112.135	N4	C1	N5	112.135
H6	N3	H9	107.599	H7	N4	H10	107.599
H8	N5	H11	107.599

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B3PW91/6-31+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	-0.107
2	H	0.155
3	N	-0.607
4	N	-0.607
5	N	-0.607
6	H	0.306
7	H	0.306
8	H	0.306
9	H	0.285
10	H	0.285
11	H	0.285

	x	y	z
x	6.297	0.000	-0.000
y	0.000	6.297	-0.000
z	-0.000	-0.000	5.639

<r²>	82.797
(<r²>)^1/2	9.099

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: B3PW91/6-31+G**

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)