%chk=000200384.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200384

1 1
O -2.245462 3.657510 -0.770204
N -1.075438 -1.997068 -0.137567
N 1.569804 1.987372 0.303078
C -0.172054 -0.999623 -0.934913
C 0.632951 -0.204218 0.135656
C -0.439436 -2.108774 1.254105
C 0.184234 -0.743429 1.518057
C -1.061555 -0.098730 -1.793221
C -1.859749 0.843976 -0.853797
C -2.517755 -1.474445 -0.010899
C 0.358047 1.319536 0.059885
C -1.080410 -3.357330 -0.848372
C 2.140753 -0.258665 0.019565
C -2.595458 0.021013 0.180210
C -0.850892 1.821359 -0.284209
C 2.654810 1.063292 0.182968
C -1.885483 -4.416179 -0.119140
C 3.014803 -1.321408 -0.132888
C -3.370317 0.520371 1.157715
C -1.198794 3.254592 -0.305865
C 4.018278 1.330117 0.200256
C 4.396387 -1.061858 -0.127849
C 4.885561 0.236580 0.040974
C -3.644884 1.957868 1.387482
H 0.533091 -1.588490 -1.572393
H 0.331089 -2.912184 1.257888
H -1.196243 -2.384609 2.018771
H -0.542667 -0.050889 1.995008
H 1.036484 -0.810208 2.225184
H -1.731781 -0.672193 -2.457935
H -0.435200 0.502912 -2.489086
H -2.616890 1.427993 -1.451354
H -3.019448 -2.021500 0.820514
H -3.081028 -1.741471 -0.939436
H -1.482751 -3.212539 -1.880817
H -0.023629 -3.699068 -0.967362
H 1.689004 2.989902 0.280596
H -1.813012 -5.382121 -0.654078
H -1.532551 -4.616701 0.901074
H -2.960062 -4.193671 -0.063810
H 2.654028 -2.339811 -0.252936
H -3.876572 -0.148651 1.863156
H -0.461429 3.946223 0.130645
H 4.409684 2.337193 0.330878
H 5.097571 -1.888309 -0.254827
H 5.965499 0.411210 0.048138
H -4.568673 2.122266 1.961886
H -3.755712 2.530589 0.445110
H -2.830443 2.444369 1.946055


%chk=000200384-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200384

1 1
O -2.184287 3.808726 -0.798709
N -1.056400 -1.999554 -0.112176
N 1.632950 1.979363 0.222040
C -0.201970 -0.968210 -0.947007
C 0.650270 -0.161028 0.097028
C -0.327175 -2.106823 1.237484
C 0.178909 -0.691402 1.513446
C -1.137126 -0.080947 -1.785522
C -1.887763 0.886355 -0.823381
C -2.516162 -1.462521 0.066986
C 0.409733 1.352764 0.013291
C -1.090545 -3.355188 -0.846274
C 2.173173 -0.258510 -0.015141
C -2.623830 0.041070 0.236533
C -0.835986 1.876572 -0.295748
C 2.707080 1.047556 0.154849
C -1.874130 -4.453539 -0.118280
C 3.036967 -1.357058 -0.143234
C -3.460696 0.522778 1.200420
C -1.091061 3.309159 -0.390694
C 4.089694 1.289967 0.210966
C 4.438771 -1.133820 -0.103807
C 4.951701 0.172692 0.077039
C -3.868624 1.955287 1.424148
H 0.461615 -1.577756 -1.583104
H 0.505942 -2.818862 1.104468
H -1.017275 -2.495398 2.001066
H -0.625871 -0.054652 1.911900
H 1.015147 -0.693619 2.229631
H -1.829166 -0.698829 -2.387673
H -0.529280 0.499596 -2.500793
H -2.625117 1.496223 -1.380632
H -2.953913 -2.001346 0.922207
H -3.043528 -1.789660 -0.848774
H -1.520477 -3.156631 -1.844095
H -0.036523 -3.656484 -0.982190
H 1.765946 2.990027 0.216655
H -1.813574 -5.375518 -0.722416
H -1.450845 -4.687035 0.873382
H -2.943661 -4.213002 -0.003798
H 2.656236 -2.376737 -0.282603
H -3.918570 -0.208293 1.886942
H -0.256038 3.986366 -0.077130
H 4.496366 2.297442 0.343222
H 5.128354 -1.975973 -0.215111
H 6.034969 0.327194 0.107797
H -4.964662 2.017590 1.558148
H -3.580500 2.625994 0.600234
H -3.422768 2.347772 2.360306


