%chk=000183099.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183099

0 1
O 2.841603 1.227604 0.734711
N -3.551774 -0.022151 0.219526
N -4.711130 1.118344 -1.362854
C -3.079519 -2.448315 0.782264
C -3.254181 -0.990138 1.287119
C -2.627300 0.787724 -0.467092
C -1.935224 -2.555306 -0.226596
C -4.380549 -3.004930 0.200991
C -1.201658 0.860804 -0.164325
C -4.810514 0.205298 -0.367412
C -3.370292 1.482253 -1.434618
C -0.760483 1.405628 1.056303
C -0.266659 0.413423 -1.112614
C 0.599716 1.481826 1.343112
C 1.101979 0.488512 -0.848376
C 1.511958 1.018273 0.380162
C 3.841678 0.401340 0.212875
C 3.686385 -0.978591 0.045816
C 5.055402 1.063004 -0.024927
C 4.795559 -1.715569 -0.380074
C 6.146401 0.300617 -0.443379
C 6.018546 -1.082745 -0.625197
H -2.811082 -3.057421 1.685463
H -4.074768 -0.952670 2.040100
H -2.323177 -0.673793 1.813853
H -1.746139 -3.597929 -0.504479
H -2.161133 -2.009198 -1.152178
H -1.001415 -2.141590 0.170779
H -4.276400 -4.067246 -0.050645
H -5.215784 -2.916396 0.902599
H -4.666291 -2.489066 -0.725202
H -5.717311 -0.279622 -0.044966
H -3.019809 2.208407 -2.146150
H -1.489350 1.779170 1.776793
H -0.614022 0.010654 -2.065564
H 0.966121 1.900375 2.278643
H 1.829611 0.160433 -1.588058
H 2.737008 -1.464671 0.254225
H 5.127810 2.138250 0.123478
H 4.703693 -2.793007 -0.517328
H 7.103183 0.787586 -0.633084
H 6.875110 -1.666271 -0.956195


%chk=000183099-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183099

0 1
O 2.954727 1.142009 0.863780
N -3.600832 0.015174 0.154660
N -4.601970 1.030439 -1.621765
C -3.407599 -2.421350 0.915563
C -3.462022 -0.911852 1.298339
C -2.572892 0.671118 -0.567066
C -2.224353 -2.737543 -0.027466
C -4.742106 -2.940294 0.332296
C -1.150639 0.730745 -0.181890
C -4.791957 0.266426 -0.527697
C -3.224470 1.277501 -1.653405
C -0.730806 1.092553 1.130154
C -0.145680 0.492717 -1.159552
C 0.635054 1.186004 1.459205
C 1.225373 0.599214 -0.849709
C 1.611459 0.933945 0.469550
C 4.024783 0.447249 0.240896
C 3.941095 -0.916727 -0.125049
C 5.230580 1.168024 0.100236
C 5.085886 -1.554647 -0.652802
C 6.367658 0.515220 -0.424305
C 6.300134 -0.845299 -0.807252
H -3.231481 -2.945649 1.879614
H -4.316673 -0.737149 1.979154
H -2.540409 -0.651005 1.844058
H -2.157695 -3.825449 -0.210993
H -2.355699 -2.237350 -1.004414
H -1.261476 -2.400215 0.398185
H -4.696703 -4.034575 0.183571
H -5.593377 -2.726282 1.006475
H -4.955044 -2.479345 -0.649310
H -5.751870 -0.114848 -0.187508
H -2.781872 1.912420 -2.418156
H -1.479077 1.349001 1.888620
H -0.448197 0.219406 -2.176257
H 0.961001 1.474527 2.462802
H 1.980393 0.428969 -1.623110
H 3.007174 -1.471036 0.010943
H 5.259409 2.218672 0.404013
H 5.028009 -2.611701 -0.935305
H 7.304829 1.071461 -0.535562
H 7.183138 -1.347577 -1.216042


