%chk=000179970.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179970

0 1
O -5.498191 -0.500812 -1.781940
O 2.153448 -1.590750 0.581548
O 5.479558 1.844963 0.702592
O 6.065785 0.498608 -1.064489
N 4.870138 -0.323363 0.776142
C -3.980549 0.130806 -0.086569
C -5.474854 0.137745 -0.483405
C -3.793287 0.916430 1.223554
C -6.038182 1.562363 -0.603386
C -4.343181 2.343192 1.105277
C -5.823567 2.340306 0.699570
C -3.476831 -1.321422 0.043307
C -1.980187 -1.388451 0.149425
C -1.186361 -1.254407 -0.997313
C -1.361621 -1.584887 1.398812
C 0.209395 -1.312950 -0.919288
C 0.023440 -1.647497 1.504760
C 0.796314 -1.509102 0.334759
C 3.064370 -1.466006 -0.548738
C 4.445698 -1.573742 0.108722
C 5.506964 0.653203 0.002306
C 6.241867 2.960280 0.136042
C 5.502091 3.548950 -1.045937
H -3.406371 0.633253 -0.904440
H -6.087059 -0.481892 0.205997
H -4.288555 0.388216 2.059653
H -2.716148 0.946282 1.480625
H -7.112073 1.532603 -0.859348
H -5.539664 2.082446 -1.445783
H -4.216581 2.875377 2.066600
H -3.751628 2.912402 0.361964
H -6.184436 3.379255 0.579596
H -6.434548 1.896446 1.509193
H -3.820776 -1.892971 -0.850045
H -3.957693 -1.820251 0.906394
H -6.391561 -0.476331 -2.164439
H -1.660234 -1.101974 -1.968125
H -1.973232 -1.690218 2.294562
H 0.802951 -1.207543 -1.820275
H 0.517849 -1.801472 2.460317
H 2.875408 -2.296891 -1.250676
H 2.895056 -0.496785 -1.048252
H 5.207340 -1.864168 -0.656217
H 4.428684 -2.376970 0.886828
H 4.282144 -0.016616 1.555645
H 7.250216 2.596379 -0.129601
H 6.281081 3.635628 1.010981
H 4.459267 3.781858 -0.796379
H 5.484553 2.842885 -1.891548
H 5.977254 4.471692 -1.398478


%chk=000179970-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179970

0 1
O -5.901700 -1.072510 -1.422198
O 2.169266 -1.358816 0.390948
O 5.897401 1.717640 0.832566
O 6.533506 0.497264 -1.090437
N 4.768231 -0.181075 0.307456
C -4.235225 0.019545 -0.039097
C -5.748885 -0.113107 -0.305641
C -3.982491 1.084906 1.058884
C -6.399506 1.242883 -0.651548
C -4.630982 2.447538 0.720412
C -6.146946 2.291430 0.457773
C -3.612211 -1.361988 0.323379
C -2.091387 -1.364268 0.323964
C -1.369347 -1.378761 -0.895346
C -1.343385 -1.344749 1.531622
C 0.043618 -1.373303 -0.925211
C 0.065304 -1.340462 1.526520
C 0.762149 -1.354619 0.295129
C 2.945731 -1.385428 -0.861370
C 4.416396 -1.388824 -0.440655
C 5.791493 0.651304 -0.082641
C 6.935421 2.735245 0.508938
C 6.393777 3.784772 -0.466418
H -3.773542 0.368708 -0.987390
H -6.239802 -0.525376 0.608083
H -4.395647 0.714682 2.022189
H -2.892639 1.202457 1.206968
H -7.489662 1.106926 -0.811115
H -5.970272 1.598953 -1.609765
H -4.457427 3.165251 1.545304
H -4.145684 2.871365 -0.182746
H -6.595799 3.260997 0.169220
H -6.649654 1.971064 1.394129
H -3.993819 -2.096327 -0.409297
H -3.989421 -1.668497 1.320307
H -6.862059 -1.138139 -1.656047
H -1.921891 -1.405629 -1.842834
H -1.874078 -1.340997 2.491642
H 0.562155 -1.391245 -1.888646
H 0.639331 -1.333403 2.458534
H 2.706713 -2.302707 -1.437543
H 2.710904 -0.491067 -1.472358
H 5.065113 -1.427398 -1.332961
H 4.612342 -2.291198 0.170421
H 4.222386 0.062172 1.135142
H 7.816901 2.219247 0.089068
H 7.183728 3.172466 1.489762
H 5.477500 4.255328 -0.069349
H 6.167788 3.324988 -1.443246
H 7.149808 4.576861 -0.623999


