%chk=000229458.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229458

0 1
O 6.025054 0.717496 1.212774
O 6.212258 0.688974 -1.012464
N -0.175718 1.291870 0.008848
C -3.337647 -0.435929 -0.001336
C -2.415139 -1.587705 -0.015309
C -2.559030 0.766125 0.008774
C -1.071271 -1.091451 -0.013678
C -1.105897 0.406571 0.001623
C -4.719220 -0.375593 0.002621
C -2.664252 -2.948215 -0.028709
C -3.164202 2.008127 0.022539
C 0.002805 -1.960379 -0.025563
C -5.333577 0.894992 0.016753
C -1.562621 -3.829458 -0.040801
C -4.574527 2.061407 0.026490
C -0.257052 -3.347318 -0.039299
C 1.221788 1.053135 0.002438
C 1.914464 1.000636 -1.226230
C 1.924616 1.001939 1.224751
C 3.301779 0.907901 -1.225350
C 3.312662 0.909481 1.213055
C 4.006778 0.855895 -0.008212
C 5.472653 0.750624 -0.054917
H -5.324868 -1.278523 -0.004992
H -3.679680 -3.337192 -0.030163
H -2.568274 2.921860 0.030041
H 1.030516 -1.596567 -0.024755
H -6.422096 0.955437 0.019932
H -1.744899 -4.904490 -0.051624
H -5.067759 3.032940 0.037233
H 0.581347 -4.043329 -0.049079
H 1.363457 1.050002 -2.164603
H 1.381330 1.052133 2.167466
H 3.856162 0.872007 -2.168897
H 3.874114 0.875165 2.152275
H 7.016749 0.650631 1.184366


%chk=000229458-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229458

0 1
O 6.091640 0.652496 1.232824
O 6.203778 0.628347 -1.087205
N -0.191515 1.328863 0.018884
C -3.349346 -0.438098 -0.006346
C -2.409117 -1.584855 -0.017061
C -2.584138 0.765820 0.008166
C -1.068450 -1.080646 -0.009695
C -1.131220 0.421086 0.006649
C -4.755036 -0.382528 -0.008523
C -2.648594 -2.970149 -0.031889
C -3.199787 2.027316 0.020505
C 0.032585 -1.957608 -0.016695
C -5.382582 0.890350 0.003927
C -1.538078 -3.853294 -0.039230
C -4.616549 2.082845 0.018277
C -0.213218 -3.354555 -0.031629
C 1.199114 1.101894 0.014434
C 1.914047 1.045751 -1.218848
C 1.921723 1.052026 1.242730
C 3.311441 0.913677 -1.216904
C 3.320300 0.919196 1.235627
C 4.030611 0.844067 0.007260
C 5.501509 0.702458 -0.046717
H -5.360977 -1.294986 -0.019677
H -3.668956 -3.368206 -0.037704
H -2.591326 2.937000 0.031284
H 1.058342 -1.579545 -0.011288
H -6.476511 0.953285 0.002319
H -1.706789 -4.935796 -0.050999
H -5.125477 3.052596 0.027594
H 0.630073 -4.053048 -0.037744
H 1.359174 1.109934 -2.160025
H 1.371866 1.120890 2.186542
H 3.870741 0.860965 -2.156903
H 3.876423 0.871650 2.176052
H 7.075102 0.560001 1.118007


