%chk=000239982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239982

0 1
O 4.758110 1.601757 -0.074485
O -4.316564 1.552782 -0.571572
N 2.290257 0.212664 -0.055581
N -2.327729 0.219579 1.010306
N -0.047512 0.245428 0.298598
N -1.362660 -1.819303 0.207990
C 2.310046 1.698158 0.070140
C 3.450892 -0.329941 -0.815215
C -2.364576 1.706931 0.900830
C -3.683514 -0.371025 0.808984
C 1.079116 -0.479117 -0.042667
C 3.650598 2.122581 0.690083
C 4.746615 0.163513 -0.148068
C -3.008156 2.143661 -0.424826
C -4.301693 0.110053 -0.512609
C -1.223074 -0.460751 0.459710
C 1.005100 -1.873841 -0.291387
C -0.240034 -2.502057 -0.154010
C -0.399522 -3.964227 -0.408847
H 1.465064 2.034268 0.717510
H 2.168570 2.176732 -0.924004
H 3.414643 0.008945 -1.875866
H 3.422650 -1.443148 -0.821013
H -1.340881 2.132002 1.005895
H -2.961355 2.079767 1.764362
H -4.307840 -0.048988 1.672995
H -3.632823 -1.484555 0.842148
H 3.810258 3.213688 0.623406
H 3.745750 1.785499 1.737501
H 4.871834 -0.254114 0.866764
H 5.637517 -0.051931 -0.764755
H -3.236110 3.223775 -0.446825
H -2.387504 1.868613 -1.295517
H -3.757807 -0.281770 -1.389934
H -5.375050 -0.137190 -0.590233
H 1.883168 -2.444019 -0.562829
H -1.446122 -4.292410 -0.294141
H -0.082016 -4.229690 -1.426734
H 0.203852 -4.554818 0.295796


%chk=000239982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239982

0 1
O 4.803684 1.631995 0.176725
O -4.652052 1.757837 0.085598
N 2.359666 0.190744 -0.343562
N -2.261420 0.230160 0.517600
N 0.049027 0.187728 0.070480
N -1.285052 -1.863742 0.062809
C 2.366763 1.669433 -0.307915
C 3.660570 -0.399691 -0.704867
C -2.242065 1.690265 0.708934
C -3.579843 -0.400191 0.715709
C 1.175118 -0.530524 -0.232743
C 3.498166 2.172598 0.603730
C 4.766932 0.163268 0.214246
C -3.323565 2.340538 -0.177168
C -4.625979 0.303909 -0.169513
C -1.127391 -0.503971 0.207053
C 1.104905 -1.951817 -0.411209
C -0.152878 -2.568005 -0.249508
C -0.330292 -4.061106 -0.415797
H 1.380952 2.002447 0.052201
H 2.524279 2.062062 -1.335062
H 3.905411 -0.158117 -1.761322
H 3.633672 -1.495349 -0.599987
H -1.237639 2.061258 0.452119
H -2.451514 1.926511 1.773265
H -3.877333 -0.302366 1.780646
H -3.489579 -1.469090 0.465525
H 3.601119 3.268211 0.539163
H 3.298434 1.877328 1.656392
H 4.594407 -0.183431 1.256561
H 5.762655 -0.166471 -0.125826
H -3.426837 3.415532 0.045883
H -3.060215 2.204679 -1.248847
H -4.398829 0.117626 -1.241673
H -5.644426 -0.050227 0.060565
H 1.970530 -2.560145 -0.674220
H -1.065845 -4.270318 -1.213212
H 0.620137 -4.561444 -0.665726
H -0.732178 -4.500625 0.514853


