%chk=000213043.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213043

0 1
O -2.982600 -0.145780 0.383913
O -2.842422 2.317407 -0.827220
O -0.251545 3.661898 -0.800535
N 4.835560 -0.223577 -0.554842
N 3.387476 -2.203247 -0.737910
N 4.233360 1.608178 0.761228
N 5.460354 -2.073204 -1.888979
C -3.063826 -2.336153 -0.576135
C -4.355366 -2.465045 -1.368948
C -3.783154 -3.672985 -0.658271
C -3.057354 -1.574643 0.738936
C -1.944543 -2.033304 1.628613
C -1.771312 0.484007 0.409429
C -0.817955 -1.320933 1.768634
C -0.645665 -0.049274 1.077514
C 0.562212 0.684132 1.065198
C -1.721612 1.731977 -0.257292
C 1.798060 0.155482 1.756954
C 0.629078 1.912289 0.414304
C -0.503958 2.441615 -0.242254
C 2.774363 -0.390501 0.763253
C 3.940481 0.318156 0.342860
C -3.460121 1.521462 -1.877336
C 2.548395 -1.639348 0.163570
C -1.324943 4.341156 -1.506123
C 4.529100 -1.474147 -1.052829
H -2.124676 -2.210654 -1.131642
H -4.318762 -2.410630 -2.454744
H -5.266265 -2.001867 -0.995371
H -4.289593 -4.071079 0.217923
H -3.336579 -4.479181 -1.237191
H -4.046569 -1.588000 1.255813
H -2.111298 -2.983755 2.127478
H 0.000660 -1.652206 2.412033
H 2.249960 0.957328 2.378074
H 1.531027 -0.638759 2.492681
H 1.555933 2.481718 0.373288
H 1.649116 -2.224238 0.405306
H -2.747475 1.339689 -2.683346
H -4.282875 2.168340 -2.196173
H -3.835720 0.579484 -1.455925
H -2.192821 4.464476 -0.846811
H -1.595962 3.773327 -2.400151
H -0.856145 5.299802 -1.753100
H 5.129241 2.008375 0.520804
H 3.767279 1.990219 1.566164
H 6.189977 -1.501226 -2.287197
H 5.178782 -2.888381 -2.413843


%chk=000213043-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213043

0 1
O -2.828527 -0.177100 0.277177
O -3.035393 2.455404 -0.698480
O -0.755423 4.191618 -0.447449
N 3.821915 -1.380858 -1.065784
N 3.937008 -2.594002 1.059708
N 2.703182 0.650465 -1.280088
N 4.977766 -3.408074 -0.877746
C -2.389105 -2.185680 -1.116054
C -3.570272 -2.309120 -2.089302
C -2.934107 -3.573921 -1.496858
C -2.620629 -1.669075 0.298462
C -1.495886 -2.045299 1.239368
C -1.691581 0.640776 0.340962
C -0.469901 -1.180564 1.478327
C -0.475698 0.180080 0.929467
C 0.625997 1.079627 1.036708
C -1.838994 1.972495 -0.133014
C 1.965746 0.653174 1.646594
C 0.469505 2.411154 0.592710
C -0.743338 2.869113 0.023511
C 2.719708 -0.457144 0.925240
C 3.075163 -0.400353 -0.468774
C -3.522654 1.745251 -1.902371
C 3.193655 -1.590813 1.613221
C -1.870407 5.063323 -0.010183
C 4.220327 -2.425774 -0.276679
H -1.415351 -1.911181 -1.537088
H -3.393970 -2.084888 -3.145065
H -4.561138 -2.018128 -1.725457
H -3.504325 -4.126829 -0.742526
H -2.318651 -4.205128 -2.143387
H -3.595159 -2.038564 0.668527
H -1.511283 -3.053192 1.666654
H 0.367625 -1.486014 2.111160
H 2.608774 1.554442 1.707520
H 1.808999 0.323695 2.693964
H 1.283040 3.137812 0.696422
H 2.973418 -1.706832 2.683722
H -2.762671 1.789808 -2.705719
H -4.427427 2.291958 -2.209366
H -3.765845 0.697514 -1.661969
H -1.826524 5.207177 1.086553
H -2.841832 4.631921 -0.299020
H -1.696901 6.022668 -0.520978
H 2.992557 0.615686 -2.255780
H 2.025899 1.345890 -0.970060
H 5.217005 -3.321365 -1.860861
H 5.295000 -4.192754 -0.316119


