%chk=000289413.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289413

0 1
O 7.237560 -0.246656 -0.490076
O 1.166298 1.406181 0.319103
O -0.774320 -2.145898 1.018374
O -7.136284 1.231668 -1.079239
O -7.266777 -0.903700 -0.768136
N -1.172081 0.108794 0.699352
N -6.650442 0.151267 -0.777082
C 1.056154 -0.678455 1.443822
C 3.205376 0.222784 0.362649
C 1.773348 0.401686 0.655535
C -2.539457 0.062697 0.321912
C -0.365760 -1.003365 1.023849
C 3.896233 -0.983941 0.607782
C 3.900556 1.310171 -0.203258
C -3.148569 1.291018 -0.040420
C -3.289923 -1.131663 0.314896
C 5.918344 0.006900 -0.249520
C 5.242043 -1.104573 0.310811
C 5.255487 1.216980 -0.510067
C -5.232624 0.120938 -0.399347
C -4.488382 1.316026 -0.397932
C -4.630818 -1.100431 -0.044307
C 8.047532 0.806747 -1.075346
H 1.625892 -1.640745 1.438070
H 1.048063 -0.375058 2.518958
H -0.706123 1.042386 0.640541
H 3.358497 -1.838244 1.033409
H 3.356011 2.241428 -0.401668
H -2.571326 2.215405 -0.042878
H -2.817561 -2.084252 0.588166
H 5.792024 -2.027129 0.491045
H 5.774109 2.066657 -0.943393
H -4.977435 2.255799 -0.680887
H -5.228475 -2.020150 -0.054784
H 8.090059 1.669483 -0.404468
H 7.666948 1.071524 -2.066084
H 9.028023 0.315620 -1.148582


%chk=000289413-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289413

0 1
O 7.458410 0.149566 0.033316
O 1.083879 0.941057 -0.425722
O -1.004986 -2.320241 1.387704
O -7.174763 1.695591 -0.855968
O -7.615315 -0.257291 0.241229
N -1.191793 -0.265990 0.247977
N -6.795851 0.616053 -0.249172
C 1.055116 -1.204455 0.776029
C 3.234309 0.018637 0.097562
C 1.752097 -0.010731 0.109456
C -2.590090 -0.104000 0.155794
C -0.484907 -1.309096 0.828342
C 4.038031 -1.008415 0.679398
C 3.886988 1.120582 -0.522228
C -3.062010 1.071148 -0.501675
C -3.526772 -1.042567 0.680566
C 6.069081 0.175883 0.016055
C 5.435523 -0.933344 0.640681
C 5.287287 1.209938 -0.569351
C -5.349468 0.369277 -0.109994
C -4.435763 1.311938 -0.637209
C -4.904124 -0.801001 0.545104
C 8.186898 1.262096 -0.595520
H 1.405398 -2.139226 0.296217
H 1.398861 -1.280021 1.826199
H -0.577111 0.471807 -0.162837
H 3.574664 -1.872353 1.166082
H 3.263744 1.903923 -0.965643
H -2.340188 1.791219 -0.903643
H -3.158119 -1.938687 1.181676
H 6.064199 -1.712078 1.081674
H 5.759279 2.069360 -1.053492
H -4.815819 2.205914 -1.137754
H -5.642074 -1.504914 0.938810
H 7.957543 2.220874 -0.093987
H 7.950796 1.332197 -1.673793
H 9.249253 1.015252 -0.461083


