%chk=000277982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277982

0 1
S -0.511551 -0.546756 -0.000064
S 4.719994 -1.395024 -0.000561
N 1.258345 1.459798 0.000402
N 2.206187 -2.162367 -0.000647
N 3.727053 1.181031 0.000206
N 2.719993 3.321830 0.000584
C -1.598318 0.917133 0.000238
C -2.975708 0.343930 0.000126
C 2.206916 -0.755137 -0.000260
C 1.096492 0.118771 0.000036
C 3.502145 -0.140351 -0.000148
C -3.627663 0.072532 1.214142
C -3.627788 0.073306 -1.213994
C 2.565424 1.957333 0.000463
C -4.919290 -0.460002 1.210326
C -4.919416 -0.459229 -1.210384
C -5.567601 -0.725843 -0.000080
C 3.412714 -2.642137 -0.000793
H -1.392024 1.555169 -0.882686
H -1.392026 1.554807 0.883424
H -3.126187 0.271931 2.160116
H -3.126411 0.273308 -2.159893
H -5.421010 -0.670198 2.153769
H -5.421235 -0.668821 -2.153909
H -6.573525 -1.141070 -0.000161
H 3.684044 -3.690383 -0.001120
H 3.641783 3.729908 0.000860
H 1.915962 3.927731 0.001009


%chk=000277982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000277982

0 1
S -0.436442 -0.802076 0.000015
S 4.981950 -1.270029 -0.000070
N 1.271374 1.359108 0.000305
N 2.442785 -2.197984 -0.000642
N 3.728111 1.253270 0.000053
N 2.585357 3.299748 0.000717
C -1.573831 0.747647 0.000368
C -3.013605 0.296457 0.000211
C 2.359478 -0.799665 -0.000233
C 1.183349 0.007872 0.000091
C 3.600736 -0.087983 -0.000251
C -3.702892 0.080565 1.221903
C -3.702781 0.081087 -1.221636
C 2.529980 1.927920 0.000229
C -5.052419 -0.335852 1.223106
C -5.052307 -0.335331 -1.223142
C -5.731374 -0.544773 -0.000094
C 3.695048 -2.598852 -0.001234
H -1.301974 1.327242 -0.894506
H -1.302027 1.326805 0.895542
H -3.177566 0.237821 2.171641
H -3.177366 0.238749 -2.171258
H -5.572979 -0.496740 2.173701
H -5.572778 -0.495814 -2.173854
H -6.778517 -0.867401 -0.000209
H 4.014960 -3.640776 -0.001578
H 3.492822 3.757699 0.000819
H 1.720210 3.832483 0.001006


