%chk=000218072.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218072

0 1
O -3.571004 1.985497 1.280992
O -4.561287 -2.222591 -0.355885
N 1.517963 1.431397 -0.873418
N -0.727415 1.582851 0.128478
N -2.421078 -1.462869 -0.723901
N -0.176840 -0.378158 -0.964201
N -4.070406 -0.112799 0.466238
C 0.274473 0.872487 -0.547688
C -1.876190 0.756218 0.127929
C -1.504502 -0.431502 -0.553023
C 2.531585 0.515452 -1.475600
C 2.055848 2.491029 0.036857
C -3.176975 1.002437 0.685590
C -3.753405 -1.324574 -0.209314
C 3.371027 -0.223935 -0.460909
C 1.646521 3.868029 -0.480092
C -2.034189 -2.702730 -1.438948
C -5.464486 -0.011822 0.979969
C 4.698531 0.165039 -0.229439
C 2.830771 -1.308622 0.244235
C 5.475927 -0.523012 0.706658
C 3.610577 -1.991213 1.181397
C 4.932867 -1.599438 1.415131
H 3.163070 1.145429 -2.145600
H 2.008783 -0.214311 -2.146364
H -0.704923 2.510585 0.513464
H 1.718022 2.342245 1.086457
H 3.168157 2.418355 0.070843
H 1.996284 4.028128 -1.510054
H 0.560371 4.010836 -0.500551
H 2.074996 4.663337 0.141840
H -1.658432 -2.459262 -2.448812
H -2.908492 -3.375702 -1.533094
H -1.235949 -3.229201 -0.887076
H -5.599397 0.949601 1.511344
H -5.678739 -0.839811 1.677408
H -6.186578 -0.064087 0.147183
H 5.132313 0.996262 -0.781875
H 1.800553 -1.621898 0.056312
H 6.507047 -0.220855 0.882528
H 3.186993 -2.832363 1.728683
H 5.539014 -2.133658 2.144610


%chk=000218072-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218072

0 1
O -3.762300 1.985769 1.401576
O -4.893855 -2.038852 -0.809831
N 1.450545 1.107239 -0.290262
N -0.865285 1.433477 0.412347
N -2.648683 -1.354753 -0.891107
N -0.358827 -0.418630 -0.834442
N -4.310964 -0.046542 0.279987
C 0.133036 0.722756 -0.248310
C -2.066204 0.710683 0.244607
C -1.709099 -0.406000 -0.521696
C 2.409005 0.325979 -1.106928
C 1.904615 2.360244 0.343918
C -3.388267 0.985845 0.707136
C -4.003229 -1.196825 -0.492578
C 3.550491 -0.262697 -0.282678
C 1.653977 3.620309 -0.517891
C -2.258519 -2.526642 -1.696322
C -5.728665 0.093228 0.680104
C 4.898798 -0.037090 -0.651380
C 3.272961 -1.065616 0.853734
C 5.955932 -0.607077 0.096381
C 4.325345 -1.632925 1.603441
C 5.671330 -1.405691 1.226694
H 2.820001 0.970595 -1.909968
H 1.822051 -0.475875 -1.587836
H -0.794284 2.314506 0.916471
H 1.422057 2.465128 1.336242
H 2.984696 2.247382 0.544567
H 2.183965 3.547499 -1.484114
H 0.579933 3.764047 -0.732720
H 2.023127 4.520731 0.005846
H -1.841437 -2.200999 -2.664333
H -3.161923 -3.132740 -1.856897
H -1.493318 -3.115739 -1.163121
H -5.809395 1.020976 1.265895
H -6.040958 -0.774858 1.283702
H -6.373298 0.141876 -0.212981
H 5.124418 0.583001 -1.528556
H 2.230517 -1.243252 1.143262
H 6.995244 -0.425842 -0.199750
H 4.100014 -2.254694 2.477231
H 6.487860 -1.847131 1.808862


