%chk=000213907.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213907

0 1
O -1.813717 -2.063830 -0.600881
N 0.363945 -1.995521 0.395570
N -1.499261 -3.155691 1.380582
C -0.297794 -0.076986 -1.080564
C -1.699385 -0.748988 -1.223912
C -0.472360 1.062283 -0.039975
C 0.803728 -1.101506 -0.695997
C -2.657384 0.190036 -0.536115
C -1.954567 1.222427 0.129116
C 2.094051 -0.396642 -0.318536
C -4.042521 0.128188 -0.496442
C -2.641422 2.206439 0.828682
C -0.881435 -2.368854 0.395295
C -4.737191 1.123715 0.211952
C -4.044941 2.146805 0.862968
C 2.857475 0.191803 -1.340034
C 2.543837 -0.315805 1.005916
C 4.046008 0.857921 -1.039985
C 3.735085 0.348244 1.307156
C 4.495342 0.941176 0.288028
C 5.762040 1.665418 0.612207
H -0.027685 0.377274 -2.061135
H -1.968826 -0.988358 -2.272746
H 0.022784 1.989998 -0.373640
H 0.000928 0.796343 0.929262
H 1.011368 -1.745850 -1.599781
H -4.580676 -0.675098 -0.995147
H -2.110961 3.002661 1.343480
H -5.823927 1.091804 0.253763
H -4.597408 2.910887 1.408796
H 2.528302 0.129271 -2.375390
H 1.966503 -0.786919 1.805761
H 4.627192 1.310913 -1.839802
H 4.073667 0.400828 2.339728
H -0.887042 -3.775248 1.900124
H -2.378408 -3.579954 1.107294
H 6.486858 1.626456 -0.211452
H 5.560442 2.726600 0.819299
H 6.262257 1.251259 1.497751


%chk=000213907-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213907

0 1
O -1.843343 -2.069822 -0.440999
N 0.399233 -1.974687 0.511880
N -1.317138 -3.345377 1.383721
C -0.329183 -0.035960 -0.879384
C -1.698713 -0.735075 -1.142772
C -0.584696 0.971224 0.286858
C 0.793984 -1.080871 -0.602010
C -2.719484 0.236943 -0.585983
C -2.086753 1.204840 0.235545
C 2.135317 -0.404735 -0.313975
C -4.115652 0.239805 -0.776693
C -2.857436 2.197329 0.875472
C -0.829920 -2.411403 0.490731
C -4.888285 1.236777 -0.134719
C -4.261025 2.208390 0.684702
C 2.826114 0.268699 -1.351944
C 2.707802 -0.419100 0.978387
C 4.052158 0.921206 -1.100605
C 3.935034 0.234988 1.227574
C 4.626377 0.922476 0.197617
C 5.931704 1.649491 0.476131
H -0.079042 0.539324 -1.790905
H -1.857516 -0.999568 -2.201680
H 0.000982 1.898707 0.164480
H -0.289913 0.528393 1.257729
H 0.909462 -1.683688 -1.532493
H -4.595629 -0.515322 -1.409557
H -2.380787 2.953458 1.509954
H -5.974868 1.262982 -0.273547
H -4.870151 2.978249 1.172453
H 2.413243 0.272225 -2.369907
H 2.186607 -0.973431 1.764894
H 4.574739 1.429370 -1.920917
H 4.367420 0.206631 2.235967
H -0.671097 -3.772154 2.040519
H -2.309527 -3.558928 1.400132
H 6.584910 1.666288 -0.414592
H 5.748721 2.702283 0.768266
H 6.491252 1.173542 1.300865


