%chk=000216596.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216596

0 1
O 0.569362 2.123432 -1.208622
O 2.520197 2.031677 1.749635
O 3.692513 -2.623597 -1.018813
O 5.346629 -1.511112 1.141972
N -5.068878 -1.741547 1.111763
N -0.560713 0.455849 -0.073911
C -2.672921 -1.231823 0.984326
C -2.957957 -0.009584 0.157702
C -3.836321 -1.548131 1.938183
C -5.455366 -0.476759 0.404599
C -4.289893 0.322171 -0.128896
C -1.918924 0.801565 -0.373464
C -4.588803 1.441551 -0.925937
C -6.202007 -2.219440 1.959439
C -2.225544 1.916154 -1.167974
C -3.559552 2.226716 -1.439437
C 0.600369 1.121064 -0.520230
C 1.843496 0.446146 -0.055299
C 2.683592 0.927546 0.965020
C 2.215625 -0.733552 -0.730724
C 3.375356 -1.418111 -0.397391
C 3.853311 0.228737 1.335071
C 4.206605 -0.941446 0.662033
C 1.471226 2.990641 1.464373
C 4.004206 -2.493835 -2.432455
C 5.808199 -2.757136 0.551767
H -2.519972 -2.095345 0.296668
H -1.741972 -1.126169 1.575830
H -3.628503 -2.494481 2.482111
H -3.936398 -0.746670 2.700724
H -6.079651 0.197010 1.037309
H -6.095420 -0.797554 -0.454288
H -5.623178 1.693250 -1.146565
H -7.084843 -2.384192 1.320559
H -6.488454 -1.546496 2.780738
H -5.934199 -3.198542 2.389353
H -1.426514 2.539679 -1.582864
H -3.791411 3.091782 -2.060683
H -0.431756 -0.375439 0.516243
H 1.582107 -1.117323 -1.534740
H 4.479598 0.612284 2.141526
H 1.563262 3.370809 0.437807
H 1.692411 3.778733 2.196205
H 0.490432 2.545552 1.651926
H 4.830898 -1.794326 -2.579090
H 3.116922 -2.178334 -2.987551
H 4.289638 -3.517696 -2.699108
H 5.012287 -3.510885 0.577872
H 6.641796 -3.017751 1.214386
H 6.141410 -2.576476 -0.473401


%chk=000216596-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216596

0 1
O 0.519235 2.562178 -0.866456
O 3.116979 2.495028 1.111349
O 3.072980 -2.754251 -0.984893
O 5.464493 -1.526853 0.213721
N -4.939946 -1.889304 0.844952
N -0.629367 0.691957 -0.011332
C -2.597903 -1.121020 1.034146
C -2.989423 0.111761 0.225051
C -3.799789 -1.741368 1.772038
C -5.450428 -0.567165 0.427649
C -4.351648 0.368531 -0.062126
C -1.993403 1.012794 -0.274835
C -4.716982 1.518647 -0.804319
C -6.012846 -2.748676 1.377063
C -2.364114 2.167003 -1.010475
C -3.729524 2.410487 -1.266415
C 0.528600 1.407732 -0.334373
C 1.798606 0.652086 -0.037638
C 2.974346 1.230915 0.538377
C 1.887722 -0.687002 -0.521128
C 3.070256 -1.437706 -0.460767
C 4.168319 0.466137 0.609249
C 4.230451 -0.851348 0.131821
C 1.960083 3.285543 1.559407
C 3.912656 -2.915870 -2.197233
C 5.443798 -2.796527 0.979784
H -2.164306 -1.889944 0.361744
H -1.828394 -0.870039 1.794945
H -3.524100 -2.740240 2.156316
H -4.066885 -1.104956 2.656941
H -5.998164 -0.062466 1.271208
H -6.189628 -0.716484 -0.382319
H -5.775267 1.707430 -1.021855
H -6.800917 -2.875384 0.612901
H -6.493615 -2.336713 2.301357
H -5.606851 -3.747413 1.616257
H -1.588678 2.845760 -1.367540
H -4.016476 3.298735 -1.839752
H -0.465064 -0.186008 0.485055
H 1.032351 -1.142963 -1.032077
H 5.049953 0.910799 1.077787
H 1.485841 3.797349 0.707412
H 2.380494 4.008097 2.275647
H 1.213826 2.644073 2.067330
H 4.964602 -2.649300 -1.987050
H 3.522961 -2.282358 -3.016305
H 3.831427 -3.978502 -2.472089
H 5.230776 -2.587196 2.045127
H 6.456403 -3.214294 0.875546
H 4.688858 -3.493098 0.574494


