%chk=000213647.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213647

0 1
O -2.658576 -2.274559 -1.099941
O 4.467096 2.079822 1.314436
N -0.546383 0.470494 -0.865050
N 2.993832 0.666551 0.297334
N -4.519591 1.689975 0.371178
C 1.812780 1.527587 0.572330
C 0.706330 0.713733 1.269580
C 1.276763 2.154202 -0.730332
C -0.005051 -0.265679 0.326526
C 0.560094 1.138828 -1.630412
C -1.287804 -0.465162 -1.766705
C -2.518871 -1.065766 -1.070613
C 4.274152 1.034618 0.714769
C -3.483295 -0.163616 -0.458087
C -4.767676 -0.571998 0.071535
C -3.367962 1.212069 -0.254867
C 5.356605 0.061132 0.354954
C -5.404650 0.603825 0.584695
C -5.430341 -1.808935 0.157519
C -6.680475 0.565829 1.173253
C 6.471724 0.530302 -0.351762
C 5.278945 -1.281046 0.747588
C -6.687658 -1.843893 0.738776
C -7.305538 -0.669959 1.240084
C 7.502847 -0.353457 -0.682698
C 6.315720 -2.158675 0.417978
C 7.424269 -1.696571 -0.299796
H 2.151704 2.355382 1.260182
H -0.036698 1.422626 1.689498
H 1.121052 0.161242 2.134663
H 2.102404 2.632299 -1.291904
H 0.575419 2.970211 -0.462446
H 0.673934 -1.099129 0.047360
H -0.866571 -0.727470 0.862245
H 0.105055 1.671120 -2.494638
H 1.292459 0.416608 -2.050891
H -1.641971 0.102565 -2.656743
H -0.663548 -1.301667 -2.155190
H 2.834170 -0.177064 -0.240927
H -2.533658 1.858112 -0.505662
H -4.696932 2.638754 0.641160
H -4.938416 -2.704213 -0.230454
H -7.150667 1.464633 1.556629
H 6.535153 1.583635 -0.630165
H 4.422716 -1.638700 1.318740
H -7.222548 -2.789143 0.818425
H -8.295331 -0.751618 1.687408
H 8.370570 0.007032 -1.233475
H 6.261509 -3.202400 0.724060
H 8.230308 -2.383266 -0.556450


%chk=000213647-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213647

0 1
O -2.772444 -2.309170 -1.292682
O 4.478460 2.355651 0.326825
N -0.499917 0.441921 -0.805306
N 2.968679 0.602241 0.478886
N -4.523559 1.654425 0.415309
C 1.815219 1.499682 0.715951
C 0.661521 0.720388 1.386195
C 1.312030 2.148774 -0.602232
C -0.022750 -0.261229 0.412398
C 0.621683 1.119141 -1.515335
C -1.240124 -0.475144 -1.707776
C -2.542838 -1.066643 -1.122802
C 4.249856 1.101452 0.318630
C -3.511409 -0.192905 -0.457791
C -4.827177 -0.584754 0.048381
C -3.376198 1.186590 -0.206161
C 5.357595 0.093985 0.128020
C -5.439569 0.595454 0.589433
C -5.539114 -1.810556 0.089460
C -6.725499 0.594209 1.167923
C 6.583317 0.570908 -0.402878
C 5.240864 -1.278956 0.471686
C -6.825798 -1.822059 0.666885
C -7.412689 -0.637646 1.199742
C 7.665689 -0.309182 -0.607880
C 6.325998 -2.160021 0.269276
C 7.538948 -1.679114 -0.276234
H 2.179592 2.302413 1.382341
H -0.093600 1.450440 1.731341
H 1.030390 0.174896 2.275441
H 2.164147 2.619490 -1.123083
H 0.590278 2.947488 -0.343446
H 0.674759 -1.099971 0.138690
H -0.889540 -0.732049 0.910187
H 0.211700 1.624303 -2.409867
H 1.376524 0.374043 -1.877731
H -1.508565 0.091278 -2.622683
H -0.623605 -1.350005 -2.026982
H 2.792466 -0.396650 0.366010
H -2.512382 1.815309 -0.412509
H -4.679313 2.616777 0.710261
H -5.082813 -2.714135 -0.322220
H -7.178754 1.504402 1.575973
H 6.659422 1.637750 -0.637201
H 4.325238 -1.669770 0.932599
H -7.390115 -2.760282 0.707977
H -8.414711 -0.683672 1.640484
H 8.606358 0.069602 -1.022362
H 6.229436 -3.215838 0.545194
H 8.379715 -2.364057 -0.432641


