%chk=000216591.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216591

0 1
O -0.257870 0.080089 -1.694922
O 4.428872 -0.810616 2.042410
O 4.751525 0.874253 -2.539461
O 6.028781 0.131874 -0.154548
N -6.502772 -0.582551 -0.825535
N -0.439060 -0.057593 0.628951
C -6.146086 -0.334688 1.600661
C -6.967167 0.132479 0.384603
C -5.119747 -0.207739 -1.190240
C -4.163047 -0.213473 -0.003453
C -4.651609 -0.250495 1.328452
C -2.773974 -0.143193 -0.261019
C -3.714696 -0.216434 2.392003
C -7.420626 -0.452116 -1.970080
C -1.849518 -0.116778 0.810858
C -2.332256 -0.153209 2.148010
C 0.284357 0.004222 -0.556393
C 1.782981 0.003615 -0.402148
C 2.531012 0.439724 -1.522951
C 2.457917 -0.436208 0.758681
C 3.870541 -0.395110 0.826063
C 3.937024 0.476000 -1.467528
C 4.629554 0.101357 -0.271690
C 5.658776 -1.632553 2.029387
C 4.083228 1.207931 -3.803288
C 6.695014 1.426935 -0.423981
H -6.422351 -1.384567 1.821701
H -6.409194 0.267966 2.491871
H -8.036837 -0.100860 0.538315
H -6.880149 1.245058 0.269510
H -5.086312 0.814066 -1.659629
H -4.757306 -0.915445 -1.960331
H -2.395393 -0.106120 -1.285561
H -4.077778 -0.239841 3.426838
H -7.056072 -1.069981 -2.810936
H -7.524033 0.600845 -2.339529
H -8.424158 -0.817338 -1.688300
H -1.626289 -0.129781 2.988620
H 0.106044 -0.028034 1.493152
H 1.971980 0.722203 -2.418888
H 1.944818 -0.863701 1.626423
H 6.554187 -0.998008 1.943642
H 5.643386 -2.352243 1.191068
H 5.645886 -2.168490 2.991918
H 3.502861 0.346771 -4.183907
H 4.898330 1.448711 -4.501303
H 3.416053 2.083033 -3.686549
H 6.559607 1.720007 -1.477281
H 7.758472 1.248377 -0.203337
H 6.294494 2.209955 0.247549


%chk=000216591-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216591

0 1
O -0.242606 0.109424 -1.711753
O 4.461508 -0.725708 2.057529
O 4.773093 0.911100 -2.533474
O 6.042914 0.160545 -0.142595
N -6.485414 -0.616890 -0.821822
N -0.427751 -0.020256 0.625252
C -6.133811 -0.330612 1.601991
C -6.963840 0.103545 0.379740
C -5.111393 -0.214128 -1.190615
C -4.152730 -0.204068 -0.005639
C -4.640413 -0.234813 1.326620
C -2.764190 -0.126336 -0.264764
C -3.703159 -0.186693 2.389253
C -7.406761 -0.517627 -1.966935
C -1.838805 -0.085777 0.806697
C -2.321207 -0.115507 2.144175
C 0.299178 0.039369 -0.561732
C 1.798368 0.042708 -0.400804
C 2.550375 0.476322 -1.519406
C 2.471186 -0.390006 0.765116
C 3.882205 -0.344649 0.835476
C 3.956938 0.515558 -1.461896
C 4.645228 0.141424 -0.264114
C 5.515634 -1.764979 2.014819
C 4.107520 1.241204 -3.799791
C 6.726393 1.445854 -0.417318
H -6.396876 -1.378972 1.845239
H -6.402428 0.286496 2.481676
H -8.028544 -0.149240 0.537060
H -6.899541 1.216089 0.249694
H -5.100259 0.809700 -1.656983
H -4.737132 -0.912329 -1.963493
H -2.386987 -0.094510 -1.289720
H -4.065477 -0.205476 3.424460
H -7.029409 -1.135497 -2.802077
H -7.533756 0.529211 -2.346244
H -8.401771 -0.902081 -1.680528
H -1.615232 -0.081083 2.984375
H 0.115533 0.016128 1.490198
H 1.993761 0.754842 -2.418285
H 1.955351 -0.807250 1.636349
H 6.366639 -1.435043 1.397907
H 5.098875 -2.710702 1.617552
H 5.820585 -1.901605 3.063405
H 3.528478 0.378778 -4.179620
H 4.924097 1.480509 -4.496552
H 3.439837 2.116398 -3.686822
H 6.594680 1.736480 -1.471753
H 7.786925 1.253977 -0.194635
H 6.335592 2.234481 0.252684


