%chk=000240956.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240956

0 1
O 1.096335 1.532288 1.170728
O -1.025500 3.248134 -0.947303
O 2.782979 3.020881 0.803812
N -0.942416 1.032897 -0.463962
C -0.320193 -0.298134 -0.618276
C 1.116634 -0.444956 -0.166517
C 1.823518 -1.631091 -0.595603
C -1.738983 1.248266 0.777563
C 3.168083 -1.839064 -0.188581
C 1.794085 0.435586 0.653941
C -3.018671 0.448252 0.728981
C 3.818402 -0.873923 0.647576
C 1.213642 -2.623210 -1.430281
C 3.148532 0.241627 1.063872
C -0.594246 2.138218 -1.249369
C 3.868356 -3.011172 -0.614615
C 1.905900 -3.741410 -1.825622
C 3.253281 -3.941903 -1.413707
C -4.026918 0.795329 -0.182919
C -3.208728 -0.633825 1.599499
C 0.266952 1.905733 -2.453860
C -5.216433 0.064309 -0.220580
C -4.402696 -1.360596 1.559694
C -5.406709 -1.014038 0.650684
C 1.655417 2.825004 1.167323
C 0.613943 3.758208 1.651592
H -0.399246 -0.589812 -1.696329
H -0.938319 -1.042353 -0.050999
H -1.978899 2.338987 0.869843
H -1.115996 0.987501 1.665382
H 4.853774 -1.046729 0.943316
H 0.183094 -2.486393 -1.756978
H 3.623157 1.000443 1.688723
H 4.899964 -3.148375 -0.290713
H 1.434526 -4.491716 -2.460034
H 3.778716 -4.837111 -1.741889
H -3.876317 1.636190 -0.860735
H -2.432224 -0.909108 2.310742
H 0.469598 2.864425 -2.959864
H 1.241249 1.465460 -2.192696
H -0.212390 1.247674 -3.190067
H -5.997987 0.336182 -0.928300
H -4.549632 -2.198166 2.239440
H -6.335257 -1.580410 0.621483
H -0.104407 3.992662 0.827077
H 1.052321 4.712806 1.979503
H 0.012810 3.344637 2.474024


%chk=000240956-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240956

0 1
O 1.205149 1.664934 1.220452
O -1.241368 3.469778 -0.777582
O 2.823765 3.067796 0.257806
N -0.959081 1.185061 -0.440523
C -0.299355 -0.087406 -0.754475
C 1.096117 -0.365370 -0.168528
C 1.726706 -1.616037 -0.559011
C -1.801462 1.227187 0.780821
C 3.057245 -1.941608 -0.084316
C 1.812438 0.477106 0.691829
C -3.008985 0.301457 0.694965
C 3.736950 -1.023496 0.781023
C 1.072522 -2.567893 -1.415726
C 3.123973 0.160448 1.165936
C -0.726201 2.361837 -1.146267
C 3.673434 -3.172989 -0.479918
C 1.697695 -3.762457 -1.785043
C 3.011138 -4.071911 -1.317430
C -3.957488 0.450906 -0.350467
C -3.214497 -0.710733 1.664482
C 0.167858 2.280007 -2.381628
C -5.086890 -0.392509 -0.421199
C -4.346584 -1.556553 1.598149
C -5.285642 -1.400027 0.553991
C 1.813374 2.935398 0.972464
C 1.022152 4.018215 1.660198
H -0.226853 -0.186887 -1.852858
H -0.984160 -0.893441 -0.425038
H -2.119326 2.280426 0.883454
H -1.175561 0.972360 1.656263
H 4.743421 -1.268192 1.137928
H 0.063186 -2.372164 -1.788563
H 3.627495 0.869772 1.828443
H 4.680965 -3.397083 -0.110169
H 1.175224 -4.470256 -2.438012
H 3.489990 -5.010657 -1.615406
H -3.807198 1.235116 -1.102340
H -2.486874 -0.835871 2.476361
H 0.280160 3.299190 -2.778486
H 1.169367 1.878798 -2.144590
H -0.280244 1.643538 -3.167312
H -5.815377 -0.263137 -1.229794
H -4.493124 -2.334424 2.356055
H -6.163846 -2.053205 0.499777
H 0.105363 4.211779 1.071455
H 1.620763 4.939800 1.707188
H 0.716770 3.701602 2.670640


