%chk=000200915.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200915

1 1
O 5.556570 0.459001 -0.193083
N 2.801945 -0.414726 0.098793
N -0.962548 0.160349 -0.151485
C 3.311537 0.927112 0.626068
C 3.716032 -0.885745 -1.039154
C 1.389641 -0.252432 -0.470708
C 2.789227 -1.446679 1.204163
C 4.812287 0.882055 0.956253
C 5.197540 -0.857135 -0.633124
C 0.345237 0.270282 0.545690
C -1.762725 1.376842 -0.082640
C -1.662915 -1.098880 -0.072853
C -2.866734 1.484761 0.777925
C -2.791900 -1.261629 -0.904232
C -1.399753 2.438555 -0.927418
C -1.205176 -2.170309 0.711831
C -3.612613 2.665922 0.783749
C -3.441728 -2.492588 -0.946506
C -2.155078 3.614067 -0.904283
C -1.872167 -3.400271 0.653432
C -3.257210 3.730784 -0.051141
C -2.983193 -3.567702 -0.172293
H 2.727892 1.236916 1.522229
H 3.134770 1.708688 -0.154995
H 3.571910 -0.210353 -1.919750
H 3.419037 -1.906730 -1.371403
H 1.416017 0.436621 -1.349198
H 1.041982 -1.237255 -0.876243
H 3.803712 -1.644751 1.598098
H 2.164667 -1.123071 2.058628
H 2.379274 -2.413525 0.851942
H 5.216179 1.903347 1.139306
H 5.045763 0.240207 1.824351
H 5.451527 -1.605198 0.138930
H 5.861361 -1.004235 -1.514917
H 0.375986 -0.312389 1.495365
H 0.546942 1.332737 0.812191
H -3.152396 0.654873 1.424178
H -3.152568 -0.429996 -1.511357
H -0.560279 2.340279 -1.610359
H -0.365875 -2.056037 1.388619
H -4.477304 2.756516 1.444105
H -4.316080 -2.620890 -1.588554
H -1.887571 4.442434 -1.562173
H -1.522035 -4.230849 1.267460
H -3.844055 4.650283 -0.041016
H -3.499732 -4.526354 -0.212622


%chk=000200915-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200915

1 1
O 5.527869 0.416164 -0.487030
N 2.755030 -0.412993 0.149783
N -1.057125 0.218964 0.291139
C 3.376138 0.925476 0.612061
C 3.534492 -0.909835 -1.098994
C 1.283802 -0.185817 -0.287188
C 2.808348 -1.466674 1.253701
C 4.901032 0.825666 0.773525
C 5.055147 -0.915267 -0.876830
C 0.313330 0.339623 0.803790
C -1.824213 1.423529 0.080991
C -1.630892 -1.085140 0.130884
C -3.161486 1.512578 0.550964
C -2.655707 -1.297213 -0.835405
C -1.238678 2.546619 -0.559887
C -1.168066 -2.200020 0.886177
C -3.895056 2.703841 0.373656
C -3.206574 -2.579664 -1.022528
C -1.973485 3.742907 -0.715795
C -1.724514 -3.484395 0.684871
C -3.306099 3.827094 -0.254199
C -2.745302 -3.685887 -0.268299
H 2.886431 1.218329 1.555419
H 3.132468 1.662611 -0.171942
H 3.282062 -0.210308 -1.913347
H 3.149721 -1.913919 -1.347983
H 1.313004 0.520801 -1.134439
H 0.920622 -1.162355 -0.653669
H 3.845434 -1.789244 1.416847
H 2.410417 -1.041350 2.186131
H 2.194806 -2.327137 0.944635
H 5.303720 1.824923 1.001888
H 5.188647 0.138674 1.596684
H 5.372285 -1.675510 -0.132785
H 5.552057 -1.146022 -1.832390
H 0.433242 -0.218811 1.753253
H 0.501429 1.401415 1.027771
H -3.617494 0.656149 1.057702
H -3.015417 -0.456342 -1.435990
H -0.221374 2.484671 -0.966628
H -0.419014 -2.073429 1.676345
H -4.924667 2.759839 0.742543
H -3.995658 -2.717774 -1.769411
H -1.511017 4.601424 -1.214588
H -1.368770 -4.324663 1.291584
H -3.878134 4.751220 -0.382556
H -3.177393 -4.679844 -0.418661


