%chk=000179804.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179804

0 1
O 0.489387 3.857866 -0.506967
O -1.614515 2.248968 -0.537773
O -2.534508 0.962616 1.134806
O -4.863037 -0.617736 1.051756
N 5.540032 -0.868704 0.450659
C 1.050496 -0.276388 -0.604584
C -0.245879 0.269606 -0.381325
C 2.198539 0.562435 -0.677516
C 3.582617 -0.014789 -0.796906
C -1.367884 -0.630029 -0.139858
C -1.230807 -1.998517 -0.497032
C 4.117969 -0.412635 0.593376
C -0.369497 1.682278 -0.474290
C 1.167516 -1.704992 -0.829545
C 2.058670 1.946439 -0.626951
C 0.774959 2.496482 -0.555756
C 0.079224 -2.509425 -0.847112
C -2.593452 -0.233359 0.474942
C -2.339982 -2.869834 -0.458274
C -3.697288 -1.116590 0.483837
C -3.572660 -2.426033 -0.006338
C 5.605960 -2.276116 -0.045224
C 6.259818 -0.749937 1.754517
C 1.307872 4.700441 -1.356268
C -3.779069 1.636194 1.461909
C -6.096649 -1.295752 0.712022
H 4.281955 0.710916 -1.263453
H 3.591343 -0.889002 -1.480048
H 4.086440 0.477732 1.259376
H 3.453176 -1.172108 1.056853
H 2.163163 -2.105956 -1.028860
H 2.929878 2.596851 -0.652749
H 0.160744 -3.568761 -1.087890
H -2.220911 -3.902180 -0.781430
H -4.425286 -3.100267 0.002385
H 5.104600 -2.336891 -1.024159
H 5.153949 -3.024378 0.621964
H 6.661327 -2.548388 -0.206236
H 6.274864 0.308938 2.059219
H 7.308396 -1.057840 1.614540
H 5.833453 -1.342839 2.576493
H -1.534745 3.248104 -0.578715
H 1.307645 4.328418 -2.384185
H 2.321778 4.759406 -0.950137
H 0.797781 5.668083 -1.279873
H -4.396007 1.753920 0.568030
H -3.412503 2.599752 1.832302
H -4.305570 1.072598 2.241463
H -6.221774 -1.352973 -0.372580
H -6.846281 -0.633040 1.161733
H -6.121649 -2.285085 1.177655


%chk=000179804-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179804

0 1
O 0.387063 3.904807 -0.932665
O -1.677520 2.323873 -0.863946
O -2.658155 0.972378 1.148222
O -4.911994 -0.683038 1.143137
N 5.517391 -0.897437 0.570338
C 1.028223 -0.255484 -0.635721
C -0.304910 0.305040 -0.469837
C 2.183729 0.594039 -0.725500
C 3.598989 0.034525 -0.789458
C -1.436970 -0.604348 -0.227443
C -1.270618 -2.000124 -0.570398
C 4.093526 -0.483719 0.588071
C -0.437536 1.712302 -0.659191
C 1.155128 -1.688628 -0.817525
C 2.010441 1.991936 -0.751995
C 0.711646 2.534745 -0.762260
C 0.046286 -2.504605 -0.883223
C -2.661445 -0.217281 0.419003
C -2.379223 -2.886076 -0.509562
C -3.752422 -1.135412 0.481160
C -3.622216 -2.450642 -0.034439
C 5.755981 -2.123814 -0.218296
C 6.073745 -1.015700 1.934672
C 1.488231 4.850141 -1.104163
C -3.791086 1.913818 1.046847
C -6.016910 -1.628925 1.301743
H 4.302336 0.821779 -1.115873
H 3.663777 -0.773678 -1.542027
H 3.989923 0.339138 1.320367
H 3.424330 -1.311215 0.938544
H 2.149586 -2.115297 -0.976392
H 2.889739 2.640723 -0.817703
H 0.150783 -3.571498 -1.113650
H -2.243021 -3.930602 -0.810854
H -4.463546 -3.148290 0.005155
H 5.450690 -1.974027 -1.267797
H 5.205505 -3.015181 0.181216
H 6.835321 -2.359326 -0.214995
H 5.952887 -0.057382 2.470409
H 7.154099 -1.241375 1.877237
H 5.586945 -1.817536 2.547022
H -1.502122 3.294882 -1.004828
H 2.091827 4.599033 -1.997467
H 2.137598 4.867596 -0.208045
H 1.014140 5.833783 -1.237762
H -4.053114 2.085828 -0.011018
H -3.414661 2.847608 1.493250
H -4.661514 1.532042 1.603089
H -6.426308 -1.944421 0.322143
H -6.786377 -1.076370 1.861515
H -5.704599 -2.521084 1.878696


