%chk=000254482.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254482

0 1
O -1.586456 1.595017 0.946937
O 0.882087 -1.351279 -1.345517
O -2.266928 -2.043533 0.085709
O -4.426943 -1.739874 -0.405595
N 1.195371 -0.255971 0.645969
N -1.404087 0.276998 -0.907226
N 1.928677 -3.773881 -0.490439
C 0.687792 1.080629 0.228903
C 1.112555 2.136282 1.282616
C 1.296393 1.575422 -1.103254
C 2.376766 2.821400 0.741592
C 2.548998 2.379310 -0.724809
C -0.868671 0.998459 0.161312
C 1.282685 -1.366642 -0.186786
C -2.852042 0.045350 -0.958927
C 1.895505 -2.623313 0.437678
C -3.303956 -1.296234 -0.419193
H 0.290162 2.872059 1.421784
H 1.268564 1.702083 2.283573
H 1.528088 0.744331 -1.796029
H 0.569483 2.216646 -1.637149
H 3.263126 2.548514 1.339040
H 2.283985 3.919284 0.814890
H 2.679626 3.246726 -1.393640
H 3.456849 1.761233 -0.840427
H 1.550642 -0.303342 1.600683
H -0.816208 -0.376245 -1.452386
H -3.206105 0.137307 -2.016862
H -3.388779 0.848151 -0.374149
H 1.321385 -2.920659 1.347490
H 2.935801 -2.416709 0.783063
H 2.467006 -3.538978 -1.323504
H 0.986900 -3.992429 -0.813313
H -2.578570 -2.920013 0.444766


%chk=000254482-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254482

0 1
O -1.727985 1.796393 0.756817
O 0.833968 -1.332800 -1.502353
O -2.515190 -2.028050 0.430426
O -4.505675 -1.882893 -0.755867
N 1.216258 -0.184594 0.499501
N -1.420177 0.137359 -0.848231
N 1.893378 -3.747772 -0.354821
C 0.597354 1.143957 0.186474
C 1.028239 2.138538 1.294922
C 1.240945 1.769760 -1.091695
C 2.440672 2.661488 0.885922
C 2.631600 2.259777 -0.614583
C -0.957844 1.048857 0.076408
C 1.352445 -1.268258 -0.333762
C -2.846589 -0.086846 -1.022995
C 2.212763 -2.437357 0.213308
C -3.388507 -1.402580 -0.467418
H 0.281941 2.949153 1.317073
H 1.005054 1.676745 2.300180
H 1.286805 1.061721 -1.934026
H 0.609810 2.625209 -1.398114
H 3.237723 2.223577 1.513756
H 2.496279 3.756122 1.020117
H 2.999220 3.098880 -1.230670
H 3.370986 1.442942 -0.703927
H 1.582661 -0.278865 1.450664
H -0.724375 -0.454660 -1.344835
H -3.137994 -0.046586 -2.087920
H -3.379042 0.732942 -0.501196
H 2.129887 -2.485830 1.316379
H 3.271725 -2.200656 -0.011446
H 1.985973 -3.759288 -1.377122
H 0.965361 -4.089276 -0.080143
H -2.957968 -2.851012 0.775977


