%chk=000180440.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180440

0 1
O 1.615472 0.673733 0.879665
N -3.080191 0.426652 -1.632925
N 3.624173 -0.981568 -0.304656
C -0.758923 0.980418 0.484707
C -1.191658 -0.373084 1.104990
C -2.362322 -1.007605 0.294590
C 0.520188 1.614690 1.102662
C -3.374654 0.054651 -0.248704
C -1.925259 1.993422 0.577331
C -3.310128 1.338308 0.614778
C 0.934179 2.922700 0.374230
C -1.848260 -1.940362 -0.815216
C 2.652420 1.232585 0.041936
C -0.047575 -1.336018 1.272654
C 2.105081 2.544455 -0.540292
C 0.449981 1.792909 2.618310
C -1.023414 -3.083668 -0.213065
C -4.804848 -0.521864 -0.223892
C 0.040927 -2.547395 0.706949
C 3.027665 0.144676 -1.022828
C 1.198915 -3.461472 0.952569
C 4.086926 0.710670 -1.985254
C 1.794287 -0.359060 -1.778700
C -2.835499 0.743477 -2.731143
C 4.048722 -1.899041 0.282899
H -0.525790 0.785809 -0.592602
H -1.582611 -0.162007 2.136406
H -2.925568 -1.643022 1.026343
H -1.868522 2.682684 -0.288651
H -1.814149 2.627999 1.479133
H -3.582258 1.080365 1.656432
H -4.074155 2.064471 0.277497
H 1.237929 3.696466 1.100848
H 0.105693 3.364461 -0.203106
H -1.217779 -1.374704 -1.530085
H -2.692988 -2.346746 -1.400683
H 3.511732 1.411742 0.725173
H 0.757832 -0.965414 1.914827
H 1.758073 2.416536 -1.582141
H 2.877459 3.330419 -0.565332
H -0.381115 2.437707 2.917671
H 0.324075 0.823064 3.118714
H 1.381403 2.218372 3.009807
H -0.571100 -3.686842 -1.024541
H -1.675404 -3.781595 0.350225
H -5.534668 0.180530 -0.643832
H -4.876442 -1.445529 -0.811163
H -5.126019 -0.755482 0.796372
H 0.872526 -4.439192 1.326930
H 1.912432 -3.053812 1.684038
H 1.773424 -3.633020 0.030976
H 4.439034 -0.059970 -2.683352
H 3.684786 1.529450 -2.590353
H 4.968363 1.085874 -1.453193
H 1.034046 -0.721747 -1.060553
H 2.033177 -1.188485 -2.451715
H 1.330879 0.433009 -2.374287


%chk=000180440-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180440

0 1
O 1.723186 0.686167 0.872382
N -3.026492 0.508710 -1.615516
N 3.888439 -0.757704 -0.362837
C -0.735787 0.986321 0.533494
C -1.213497 -0.383783 1.136396
C -2.384623 -0.992200 0.284989
C 0.558502 1.598395 1.175186
C -3.391324 0.095350 -0.262528
C -1.921769 2.013428 0.592715
C -3.317982 1.347845 0.649262
C 0.973073 2.939687 0.492281
C -1.857051 -1.931278 -0.824310
C 2.638282 1.316640 -0.103885
C -0.128987 -1.426803 1.373108
C 1.857979 2.507539 -0.700078
C 0.488681 1.728037 2.708776
C -1.103320 -3.125984 -0.210239
C -4.831190 -0.473619 -0.318237
C -0.080237 -2.670618 0.820463
C 3.146971 0.243138 -1.121756
C 1.010185 -3.662022 1.175529
C 4.125782 0.914095 -2.122478
C 1.995425 -0.480070 -1.862207
C -2.715776 0.867828 -2.721494
C 4.469364 -1.599444 0.271278
H -0.487413 0.800469 -0.529803
H -1.634010 -0.140050 2.138542
H -2.986833 -1.614968 0.979055
H -1.880879 2.667374 -0.297259
H -1.816915 2.671728 1.475943
H -3.557257 1.014380 1.676503
H -4.096972 2.075432 0.353898
H 1.572869 3.537922 1.204173
H 0.112121 3.551159 0.180782
H -1.173419 -1.371282 -1.490216
H -2.694108 -2.286671 -1.455657
H 3.530234 1.686553 0.447639
H 0.665736 -1.144982 2.072416
H 1.232656 2.192509 -1.554197
H 2.525985 3.315609 -1.042006
H -0.294480 2.443347 3.020417
H 0.281573 0.758660 3.190475
H 1.457962 2.092046 3.091020
H -0.591866 -3.700937 -1.008831
H -1.820046 -3.835081 0.258236
H -5.522110 0.250867 -0.783673
H -4.866199 -1.410070 -0.901951
H -5.182325 -0.686466 0.706709
H 0.580424 -4.610774 1.555866
H 1.698098 -3.261869 1.939432
H 1.616859 -3.923813 0.285428
H 4.565960 0.154011 -2.790048
H 3.585719 1.650616 -2.741312
H 4.947922 1.426877 -1.592120
H 1.303574 -0.928885 -1.131439
H 2.407334 -1.276374 -2.506000
H 1.442474 0.226610 -2.504915


