%chk=000213924.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213924

0 1
O -0.455622 -2.303306 -0.422160
N -2.686993 -0.241533 0.195484
N 0.603493 -0.300351 -0.328164
C -3.463376 -1.441202 -0.266681
C -3.554163 0.695943 0.985579
C -4.620790 -0.985437 -1.167944
C -4.718072 1.180194 0.104032
C -5.537732 -0.000091 -0.432341
C -1.499433 -0.659586 1.004343
C -0.436297 -1.164756 0.028089
C 1.701742 -0.796327 -1.206376
C 0.729819 1.055519 0.161728
C 2.818707 -1.401665 -0.387867
C 0.050055 2.115942 -0.482328
C 1.554573 1.295925 1.272295
C 0.209353 3.413185 0.030803
C -0.819721 1.870992 -1.665343
C 4.012347 -0.697762 -0.180809
C 2.655469 -2.680452 0.166243
C 1.698772 2.595476 1.760134
C 1.023565 3.651439 1.140054
C 5.041282 -1.275943 0.569414
C 3.685178 -3.252346 0.915880
C 4.880163 -2.552080 1.117132
H -3.851957 -2.051433 0.575848
H -2.765807 -2.096288 -0.841854
H -2.931197 1.566122 1.287745
H -3.949870 0.234853 1.915449
H -5.192589 -1.867432 -1.509557
H -4.211422 -0.506937 -2.079951
H -4.315991 1.769183 -0.744516
H -5.360880 1.866378 0.684589
H -6.329893 0.364024 -1.112076
H -6.057504 -0.512442 0.399139
H -1.126915 0.200720 1.603032
H -1.708893 -1.479162 1.729350
H 2.066572 0.042230 -1.839202
H 1.276365 -1.566439 -1.899821
H 2.086155 0.466371 1.741902
H -0.307565 4.244702 -0.446099
H -0.294563 1.308791 -2.449925
H -1.695886 1.250735 -1.380720
H -1.205601 2.791010 -2.116685
H 4.141202 0.298295 -0.599970
H 1.714980 -3.218556 0.009611
H 2.337782 2.784504 2.620409
H 1.134947 4.665527 1.521340
H 5.969501 -0.729838 0.726156
H 3.557583 -4.245543 1.343074
H 5.682527 -3.000855 1.698737


%chk=000213924-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213924

0 1
O -0.570389 -2.530235 -0.255650
N -2.777184 -0.255165 0.245886
N 0.510482 -0.468986 -0.192945
C -3.587794 -1.357760 -0.343090
C -3.626032 0.698534 1.009885
C -4.660639 -0.798380 -1.296525
C -4.706521 1.318763 0.099485
C -5.567047 0.220338 -0.567560
C -1.640711 -0.765714 1.062369
C -0.528501 -1.326478 0.163071
C 1.570515 -0.981346 -1.115998
C 0.657547 0.891685 0.289077
C 2.837894 -1.421920 -0.392831
C 0.094518 1.973516 -0.449787
C 1.411598 1.124772 1.463848
C 0.301319 3.286575 0.045378
C -0.723911 1.722887 -1.699598
C 4.022281 -0.648007 -0.459948
C 2.842468 -2.624782 0.362426
C 1.603619 2.440859 1.938140
C 1.043726 3.525036 1.224631
C 5.194534 -1.063965 0.213424
C 4.010944 -3.039994 1.037446
C 5.191504 -2.261296 0.964656
H -4.085963 -1.949272 0.470143
H -2.908498 -2.046210 -0.873169
H -2.974476 1.493016 1.420207
H -4.124955 0.189704 1.877042
H -5.260861 -1.635755 -1.701351
H -4.158348 -0.305200 -2.151865
H -4.207112 1.923065 -0.683240
H -5.339065 2.003696 0.696784
H -6.293175 0.671595 -1.270109
H -6.156023 -0.307247 0.211694
H -1.261172 0.064293 1.681229
H -1.953240 -1.595209 1.739968
H 1.800615 -0.179371 -1.840679
H 1.117658 -1.835042 -1.650607
H 1.844732 0.268196 1.991306
H -0.129185 4.131877 -0.504923
H -0.154967 1.147945 -2.454362
H -1.619588 1.121315 -1.443887
H -1.044010 2.671799 -2.163144
H 4.027099 0.284268 -1.038619
H 1.927375 -3.226860 0.408463
H 2.186246 2.616129 2.848945
H 1.186375 4.551278 1.581591
H 6.105066 -0.457111 0.151388
H 4.005364 -3.972556 1.613303
H 6.099290 -2.586982 1.485304


