%chk=000225414.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225414

0 1
O 4.798767 -1.249837 2.087340
N -4.681301 -0.451192 0.024676
N 0.775334 1.048465 -0.254939
C 1.820817 0.299814 -0.155563
C 1.901429 -1.191144 0.016318
C 3.153534 1.006145 -0.128454
C -3.326311 -0.002145 -0.004217
C -0.577908 0.608158 -0.174701
C 2.925423 -1.713975 0.709347
C 4.163388 0.456192 0.565831
C -2.463975 -0.238922 1.092300
C -2.781493 0.562412 -1.182901
C -1.107314 0.055647 1.006117
C -1.428387 0.870322 -1.265394
C 4.036099 -0.867159 1.226744
C 0.836805 -2.026385 -0.600713
C 3.260509 2.299984 -0.851578
C -5.292207 -0.612760 1.374022
C -5.618130 0.227766 -0.914374
H 3.023059 -2.779381 0.915701
H 5.134449 0.937145 0.680206
H -2.851397 -0.663657 2.016836
H -3.418770 0.757151 -2.044053
H -0.456065 -0.126642 1.861132
H -1.022681 1.317272 -2.173235
H 1.197202 -3.032877 -0.859076
H 0.432110 -1.582614 -1.522530
H -0.017716 -2.161689 0.083967
H 2.499765 3.017550 -0.493046
H 3.072480 2.170876 -1.928528
H 4.243194 2.775496 -0.738103
H -5.374461 0.327207 1.941731
H -4.696537 -1.330411 1.965280
H -6.300126 -1.047308 1.270145
H -5.755345 1.300753 -0.708453
H -6.603059 -0.265558 -0.869360
H -5.251681 0.112202 -1.949677


%chk=000225414-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225414

0 1
O 5.368339 -1.388839 1.520093
N -4.763578 -0.063786 0.082979
N 0.791174 0.847606 -0.611523
C 1.863781 0.187497 -0.160187
C 1.946015 -1.258440 0.195860
C 3.111001 0.998411 -0.100772
C -3.392899 0.137210 -0.078555
C -0.549946 0.524616 -0.424879
C 3.125553 -1.748117 0.718664
C 4.249263 0.473904 0.471066
C -2.464733 -0.180217 0.969539
C -2.859144 0.699474 -1.287759
C -1.086471 -0.009647 0.792009
C -1.485430 0.917349 -1.434184
C 4.315410 -0.911609 0.959740
C 0.840656 -2.238158 -0.173164
C 3.065177 2.424878 -0.603235
C -5.283698 -0.633519 1.334256
C -5.699638 0.336240 -0.977747
H 3.237505 -2.816157 0.942961
H 5.157442 1.076820 0.583206
H -2.827536 -0.543862 1.934978
H -3.527072 0.985412 -2.104600
H -0.406115 -0.223812 1.623865
H -1.091209 1.378119 -2.345808
H 1.270080 -3.246563 -0.302157
H 0.342565 -1.950012 -1.115501
H 0.049796 -2.304851 0.593516
H 2.364640 3.036166 -0.006669
H 2.688745 2.459588 -1.640739
H 4.066434 2.886041 -0.561002
H -5.085666 0.026032 2.203848
H -4.834080 -1.623569 1.545291
H -6.373275 -0.767313 1.251202
H -5.650027 1.424776 -1.181683
H -6.728282 0.095317 -0.668334
H -5.495274 -0.200083 -1.925781


