%chk=000182927.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182927

0 1
O -0.312638 2.136506 0.531392
O -3.932919 0.848727 -0.751474
N -4.953860 -0.822923 0.558720
C 5.388130 -0.779848 0.624803
C 5.138350 0.660089 0.117197
C 4.855544 -1.813587 -0.388128
C 6.882808 -0.992680 0.948964
C 3.686391 1.043439 0.181070
C 4.796329 -3.225978 0.188719
C 7.823482 -0.799093 -0.237508
C 3.095943 1.361796 1.421094
C 2.907874 1.091536 -0.980608
C 1.756889 1.720801 1.500065
C 1.555401 1.451399 -0.930121
C 0.995058 1.761661 0.312744
C -1.212246 2.204564 -0.618918
C -2.550441 2.577710 0.012006
C -3.334524 1.365313 0.495361
C -4.726061 -0.255089 -0.657030
C -5.268308 -0.732700 -1.875626
C -6.340765 -2.473143 -0.567460
C -6.081607 -1.854426 -1.809516
C -5.757111 -1.923582 0.585640
C -7.212901 -3.679855 -0.490518
H 4.820618 -0.911112 1.581230
H 5.526977 0.763858 -0.915110
H 5.736829 1.373403 0.720501
H 5.483137 -1.805985 -1.299845
H 3.840163 -1.510498 -0.715801
H 7.013635 -2.016367 1.354967
H 7.177047 -0.307572 1.768044
H 4.393198 -3.933830 -0.543969
H 5.789711 -3.585400 0.480917
H 4.154379 -3.272529 1.075827
H 7.543806 -1.445164 -1.078687
H 7.814325 0.234355 -0.600116
H 8.856400 -1.042260 0.034993
H 3.697698 1.324994 2.328993
H 3.353101 0.846783 -1.944595
H 1.284183 1.968463 2.447027
H 0.972873 1.480922 -1.843524
H -0.837435 2.983112 -1.304293
H -1.234417 1.221232 -1.120187
H -3.160484 3.148613 -0.720653
H -2.370371 3.262572 0.871435
H -2.703285 0.572632 0.933736
H -4.153328 1.624118 1.187484
H -5.042785 -0.225694 -2.808459
H -6.523611 -2.262190 -2.719198
H -5.921772 -2.359841 1.577683
H -6.800930 -4.509072 -1.084082
H -7.333124 -4.050460 0.536159
H -8.221457 -3.469921 -0.875445


%chk=000182927-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182927

0 1
O -0.556507 2.279727 0.525979
O -3.681036 0.935383 -0.931876
N -4.880650 -0.498484 0.527358
C 5.123652 -0.986380 0.588404
C 4.958633 0.554843 0.376964
C 4.576020 -1.776214 -0.630490
C 6.592247 -1.347666 0.954807
C 3.510919 1.025247 0.374730
C 4.570597 -3.309440 -0.444468
C 7.639278 -1.077639 -0.150828
C 2.764164 1.071881 1.585086
C 2.852993 1.416066 -0.815374
C 1.421336 1.488673 1.606166
C 1.501817 1.836836 -0.819207
C 0.782756 1.872502 0.399953
C -1.271334 2.677017 -0.701946
C -2.697753 3.041486 -0.283622
C -3.502432 1.847516 0.231564
C -4.378277 -0.245158 -0.703877
C -4.526484 -1.129509 -1.806518
C -5.772083 -2.629677 -0.311999
C -5.230076 -2.325945 -1.595376
C -5.560961 -1.671699 0.704319
C -6.534089 -3.913088 -0.047700
H 4.498655 -1.262327 1.466577
H 5.443401 0.841667 -0.576565
H 5.515071 1.072762 1.185064
H 5.166639 -1.513435 -1.532265
H 3.542028 -1.433364 -0.829605
H 6.640997 -2.416564 1.241521
H 6.873533 -0.774422 1.862374
H 4.093877 -3.810941 -1.307011
H 5.593783 -3.716572 -0.346560
H 4.006430 -3.595224 0.463875
H 7.444518 -1.684428 -1.054067
H 7.648335 -0.014557 -0.453362
H 8.655040 -1.330154 0.205503
H 3.247893 0.783688 2.526991
H 3.404431 1.395023 -1.763716
H 0.849369 1.529546 2.538570
H 1.031150 2.130017 -1.762244
H -0.760926 3.547653 -1.162378
H -1.279466 1.835014 -1.421850
H -3.219702 3.488195 -1.151123
H -2.654120 3.807675 0.513349
H -2.972917 1.308935 1.036210
H -4.497079 2.148678 0.606140
H -4.097281 -0.865921 -2.776405
H -5.362059 -3.031878 -2.423981
H -5.951877 -1.842914 1.715086
H -5.904010 -4.803241 -0.233730
H -6.882085 -3.962490 0.998815
H -7.422461 -3.998898 -0.701362


