%chk=000197637.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197637

0 1
O 3.735602 0.090306 -1.473450
O 4.195352 2.916674 -0.052619
O 5.892718 1.309529 0.916975
O 3.486991 -2.386940 -0.425052
N 1.555395 0.535973 -0.688637
N -0.203862 -0.937584 -0.607608
N 5.472620 -2.293127 0.699181
N 0.385535 2.574271 0.198019
N -2.985278 0.008021 0.393845
N -1.974831 2.146049 0.704457
C 3.526032 1.709450 0.312275
C 2.880679 1.124867 -0.977679
C 4.637822 0.698560 0.704244
C 4.726831 -0.288017 -0.491181
C 4.468044 -1.748916 -0.090558
C 0.458627 1.257911 -0.197108
C 1.085969 -0.806749 -0.919104
C -0.630449 0.326455 -0.155138
C -1.888910 0.817693 0.315708
C 5.396103 -3.695517 1.156756
C -0.857608 2.931401 0.625470
C -4.302774 0.500855 0.870878
C -5.391608 -0.420179 0.382783
C -5.777887 -0.394865 -0.965651
C -6.023136 -1.299202 1.273482
C -6.793069 -1.242038 -1.416872
C -7.040631 -2.142683 0.817555
C -7.426359 -2.115539 -0.526244
H 2.798460 1.898804 1.129408
H 2.806784 1.865173 -1.814720
H 4.420603 0.187361 1.669899
H 5.693330 -0.188295 -1.041141
H 3.642133 3.695821 0.195519
H 5.984225 2.139422 0.367005
H 1.771421 -1.579181 -1.281218
H 6.292390 -1.766457 0.982266
H 6.242567 -4.281863 0.762075
H 4.459142 -4.171405 0.799829
H 5.402959 -3.746865 2.258098
H -2.911667 -0.966890 0.098513
H -0.987323 3.977492 0.951560
H -4.473287 1.547541 0.509951
H -4.284373 0.572385 1.984969
H -5.284278 0.284111 -1.660723
H -5.724375 -1.328077 2.320290
H -7.091108 -1.221735 -2.464310
H -7.531846 -2.823380 1.511384
H -8.218074 -2.774120 -0.879583


%chk=000197637-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197637

0 1
O 3.568745 -0.070417 -1.560898
O 4.314212 2.717649 -0.404209
O 5.549397 1.103701 1.277662
O 3.893207 -2.661140 -0.526364
N 1.420599 0.329805 -0.568613
N -0.184730 -1.228975 -0.076947
N 5.905982 -2.064359 0.507700
N 0.152096 2.409843 -0.064035
N -2.965472 -0.309529 0.912938
N -2.135801 1.913371 0.694306
C 3.407725 1.681332 0.100904
C 2.671450 0.956007 -1.055929
C 4.342280 0.578420 0.666693
C 4.653688 -0.300472 -0.591435
C 4.767005 -1.795212 -0.226280
C 0.292990 1.051190 -0.164518
C 1.079439 -1.038744 -0.505771
C -0.685279 0.069503 0.135770
C -1.951030 0.551383 0.589347
C 6.208422 -3.402490 1.032182
C -1.101839 2.746179 0.369901
C -4.284401 0.116367 1.403463
C -5.437014 -0.452125 0.580765
C -5.391492 -0.441208 -0.836806
C -6.586186 -0.971652 1.225684
C -6.476773 -0.935608 -1.592497
C -7.676092 -1.463490 0.471291
C -7.624285 -1.447250 -0.941107
H 2.700109 2.092759 0.840211
H 2.422179 1.644880 -1.881856
H 3.822501 -0.007552 1.441507
H 5.597878 0.055201 -1.046266
H 3.817704 3.555461 -0.569693
H 5.746624 1.959038 0.800706
H 1.801530 -1.812636 -0.769076
H 6.500516 -1.275155 0.780119
H 7.188266 -3.758976 0.666354
H 5.422199 -4.087104 0.676566
H 6.214114 -3.407762 2.137644
H -2.770696 -1.307833 0.803348
H -1.305728 3.816448 0.472635
H -4.276104 1.221276 1.365505
H -4.406744 -0.176290 2.465514
H -4.502796 -0.046749 -1.342975
H -6.628933 -0.992580 2.322212
H -6.429656 -0.922290 -2.687309
H -8.558531 -1.863403 0.983447
H -8.465674 -1.832311 -1.527989


