%chk=000188038.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188038

0 1
O 2.828432 1.934923 1.485863
O 5.419130 2.967752 0.271476
N 5.438140 0.837620 -0.641127
C 0.002736 -0.685105 0.370802
C -1.234663 -0.406506 1.233609
C 1.269970 -0.784425 1.235299
C -2.501404 -0.318960 0.373453
C 2.483443 -1.027765 0.390480
C -3.742975 -0.027419 1.231177
C 3.456969 -0.043964 0.213347
C 4.602035 -0.306389 -0.609190
C 2.677954 -2.271168 -0.252776
C -4.976015 0.049299 0.371924
C 3.544351 1.319012 0.751889
C 4.788359 -1.527243 -1.243689
C 3.798777 -2.507011 -1.045380
C 4.892244 1.899930 0.149964
C -5.358343 1.269124 -0.207828
C -5.747511 -1.099335 0.137099
C -6.501068 1.337424 -1.008796
C -6.889599 -1.025419 -0.664680
C -7.269599 0.191748 -1.238824
H 0.128176 0.121118 -0.379789
H -0.138307 -1.619361 -0.206557
H -1.095295 0.537799 1.796860
H -1.350967 -1.198430 1.998350
H 1.384185 0.151019 1.832612
H 1.160039 -1.596362 1.984450
H -2.650071 -1.262586 -0.187096
H -2.387318 0.471476 -0.394661
H -3.602827 0.919625 1.791414
H -3.859715 -0.808998 2.008832
H 1.933982 -3.055507 -0.123755
H 5.654116 -1.727255 -1.865670
H 6.303893 0.892614 -1.160289
H 3.919337 -3.479191 -1.530200
H -4.763735 2.163618 -0.034331
H -5.456683 -2.049700 0.578993
H -6.793772 2.286463 -1.454897
H -7.485324 -1.919118 -0.842227
H -8.159279 0.247456 -1.861527


%chk=000188038-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188038

0 1
O 2.141736 1.923037 0.934719
O 4.432611 3.314442 -0.522367
N 5.013554 1.059264 -0.994689
C 0.083423 -0.812680 0.456581
C -1.208229 -0.662357 1.288799
C 1.321360 -1.127662 1.348115
C -2.447926 -0.364274 0.417520
C 2.597697 -1.247090 0.540719
C -3.743619 -0.185968 1.257825
C 3.307055 -0.102525 0.092515
C 4.494381 -0.226426 -0.694246
C 3.123889 -2.513804 0.167183
C -4.966306 0.089557 0.394819
C 3.059441 1.335336 0.309176
C 5.006410 -1.477296 -1.065575
C 4.295267 -2.622204 -0.617891
C 4.232417 2.082905 -0.436070
C -5.257232 1.405237 -0.051934
C -5.819653 -0.965555 -0.019883
C -6.366244 1.660456 -0.889384
C -6.930449 -0.716600 -0.858081
C -7.207730 0.598773 -1.296758
H 0.270360 0.125758 -0.099450
H -0.043192 -1.617136 -0.295768
H -1.070538 0.155237 2.026261
H -1.384172 -1.589203 1.875014
H 1.416875 -0.312768 2.089784
H 1.138138 -2.071228 1.896734
H -2.600839 -1.183781 -0.313662
H -2.272685 0.555146 -0.176219
H -3.585622 0.645946 1.972629
H -3.903488 -1.101335 1.861296
H 2.608966 -3.422502 0.497909
H 5.914407 -1.578011 -1.668508
H 5.855168 1.235430 -1.543600
H 4.669981 -3.616430 -0.886393
H -4.612006 2.234844 0.264368
H -5.613803 -1.988077 0.321668
H -6.576814 2.683986 -1.220406
H -7.580562 -1.544445 -1.164347
H -8.070230 0.794808 -1.943798


