%chk=000118527.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118527

1 1
O -2.767786 -2.303103 -1.081065
O -2.444248 2.366745 -1.038345
N -1.117420 -0.030899 -0.016467
C -0.092653 -1.013320 0.581164
C -2.527780 -0.411468 0.444574
C -0.785265 1.387510 0.459405
C -1.053498 -0.081587 -1.526680
C 1.337213 -0.622493 0.319280
C -2.890295 -1.899048 0.277813
C -1.911268 2.422288 0.282460
C 1.985454 -1.070364 -0.841417
C 2.044397 0.134600 1.266799
C 3.325502 -0.739930 -1.063728
C 3.383790 0.460255 1.039234
C 4.024632 0.028298 -0.127461
H -0.289439 -2.030119 0.149517
H -0.276295 -1.104774 1.677551
H -2.654160 -0.129692 1.515547
H -3.259376 0.209102 -0.138972
H -0.497681 1.357220 1.537783
H 0.130896 1.729144 -0.085800
H -0.049538 0.176110 -1.904201
H -1.314962 -1.097275 -1.901075
H -1.777341 0.631741 -1.977638
H -2.199648 -2.578759 0.818979
H -3.918417 -2.075399 0.655083
H -2.783939 2.220340 0.937658
H -1.528686 3.435472 0.519287
H 1.461379 -1.694088 -1.566350
H 1.569762 0.452989 2.193511
H -3.619295 -2.192265 -1.566964
H -2.077774 3.087894 -1.602436
H 3.830638 -1.092513 -1.966202
H 3.936342 1.044119 1.778898
H 5.073658 0.281171 -0.300741


%chk=000118527-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000118527

1 1
O -2.635689 -2.409223 -0.988768
O -2.361130 2.612659 -1.082612
N -1.147439 0.035480 -0.120464
C -0.113843 -0.993830 0.478658
C -2.577473 -0.353208 0.325396
C -0.809326 1.451243 0.406545
C -1.054626 0.026954 -1.655501
C 1.344026 -0.647484 0.267579
C -2.911442 -1.849146 0.334705
C -1.917774 2.506154 0.306927
C 2.029265 -1.096371 -0.893882
C 2.071748 0.056267 1.264290
C 3.401101 -0.814491 -1.071141
C 3.444244 0.335898 1.089523
C 4.109555 -0.092237 -0.082942
H -0.371599 -1.947638 -0.008957
H -0.357298 -1.049016 1.554226
H -2.708900 0.022203 1.356262
H -3.257932 0.191943 -0.348193
H -0.541338 1.341262 1.471953
H 0.084508 1.776606 -0.147103
H -0.012267 0.238712 -1.933452
H -1.374411 -0.963480 -2.006660
H -1.710846 0.822697 -2.033390
H -2.344554 -2.389731 1.118739
H -3.988486 -1.915517 0.592637
H -2.770150 2.269901 0.975445
H -1.462430 3.451850 0.666976
H 1.498356 -1.687726 -1.649907
H 1.576042 0.364274 2.193961
H -3.064528 -3.294280 -1.093976
H -2.889750 3.436841 -1.222650
H 3.919425 -1.169682 -1.967434
H 3.996389 0.871244 1.868529
H 5.175473 0.118775 -0.216318


