%chk=000200580.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200580

0 1
O 1.204518 0.360785 0.834831
O -3.226411 1.048472 -0.991749
O 0.606877 -1.793849 0.396675
N 4.650050 -0.525615 -0.250486
N -1.015913 -0.109852 0.438800
C 3.188496 -0.276764 -0.445254
C 5.481548 0.156815 -1.295641
C 4.938969 -1.998526 -0.185407
C 2.604752 -0.065979 0.957125
C -2.064443 -0.944412 -0.104594
C -1.324459 1.293573 0.567979
C -3.132946 -0.332372 -0.803150
C -2.419195 1.824013 -0.157564
C 0.294440 -0.627203 0.527335
C 5.487676 1.667582 -1.059280
C 6.278695 -2.233837 0.513074
C -2.079620 -2.337627 0.041737
C -0.612203 2.156152 1.410753
C -4.176968 -1.070527 -1.361040
C -2.775520 3.171422 -0.089023
C -3.122114 -3.085150 -0.519231
C -0.962057 3.509697 1.483795
C -4.157678 -2.462179 -1.219322
C -2.026348 4.017407 0.735064
H 2.653234 -1.104698 -0.961225
H 3.009000 0.632090 -1.060177
H 6.523020 -0.229386 -1.208884
H 5.144106 -0.069727 -2.329974
H 4.130376 -2.489904 0.402408
H 4.936977 -2.481551 -1.186335
H 3.040696 0.805574 1.478511
H 2.655850 -0.969280 1.587020
H 4.503981 2.117237 -1.236009
H 5.763922 1.899854 -0.021796
H 6.206701 2.164942 -1.718103
H 7.124430 -1.883242 -0.089062
H 6.322454 -1.694299 1.469064
H 6.430935 -3.298155 0.719902
H -1.268953 -2.845991 0.576433
H 0.226644 1.779417 2.004562
H -4.977683 -0.559893 -1.893328
H -3.619629 3.538251 -0.670849
H -3.117475 -4.169037 -0.405890
H -0.392074 4.171275 2.135340
H -4.959528 -3.057412 -1.655432
H -2.283028 5.074710 0.795094


%chk=000200580-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200580

0 1
O 1.224063 0.521044 0.831704
O -3.022042 0.905010 -1.245953
O 0.694556 -1.728084 0.474412
N 4.670873 -0.451021 -0.394608
N -0.985724 -0.067319 0.442334
C 3.293579 0.085032 -0.502251
C 5.657272 0.230367 -1.272384
C 4.712667 -1.938202 -0.485621
C 2.663949 0.125825 0.902595
C -2.018362 -0.981629 -0.006713
C -1.383681 1.322315 0.553653
C -3.019216 -0.464117 -0.868586
C -2.402700 1.783121 -0.319646
C 0.337089 -0.525751 0.573716
C 6.031989 1.637312 -0.769581
C 5.907972 -2.553929 0.265767
C -2.082066 -2.344101 0.364619
C -0.861751 2.224012 1.509328
C -4.041316 -1.277657 -1.385815
C -2.847043 3.116710 -0.301625
C -3.103432 -3.170115 -0.155277
C -1.299251 3.566110 1.534337
C -4.076829 -2.644834 -1.035704
C -2.280557 4.019943 0.622553
H 2.652325 -0.528506 -1.175315
H 3.318821 1.107637 -0.917484
H 6.571189 -0.390818 -1.290924
H 5.294030 0.289247 -2.329567
H 3.774980 -2.328448 -0.047887
H 4.721322 -2.274069 -1.552934
H 3.129787 0.903983 1.525613
H 2.741729 -0.858241 1.395122
H 5.155164 2.309925 -0.737036
H 6.451588 1.575551 0.249675
H 6.782778 2.100449 -1.436834
H 6.875838 -2.212609 -0.144654
H 5.873411 -2.271494 1.332504
H 5.882881 -3.657072 0.189630
H -1.315730 -2.757927 1.020702
H -0.091089 1.883913 2.202485
H -4.786140 -0.828842 -2.049231
H -3.629553 3.418797 -1.003548
H -3.131349 -4.227345 0.127331
H -0.870285 4.255511 2.268697
H -4.863611 -3.289422 -1.440780
H -2.614022 5.062534 0.639880


