%chk=000219365.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219365

0 1
O 1.312433 0.085755 -0.367125
O 0.875940 1.837935 0.992582
O -5.881764 0.213172 0.068136
O -5.301945 -1.324781 -1.339143
N -5.050705 -0.425962 -0.554212
C 4.513028 -1.505345 0.275247
C 3.348002 -1.047257 -0.628012
C 2.782666 0.322054 -0.255360
C 5.698730 -0.537073 0.200801
C 4.057533 -1.704236 1.724868
C 3.130496 1.444916 -1.213333
C 0.473505 0.928590 0.300875
C -0.952741 0.552961 0.059342
C -1.945718 1.262913 0.751762
C -1.292779 -0.473514 -0.832722
C -3.290233 0.945387 0.553956
C -2.635264 -0.797523 -1.036766
C -3.619782 -0.083379 -0.339717
H 4.854380 -2.498839 -0.117866
H 2.527856 -1.797401 -0.575775
H 3.674679 -1.057154 -1.685644
H 2.979931 0.601065 0.804341
H 5.458175 0.442013 0.629177
H 6.022148 -0.375691 -0.832833
H 6.560181 -0.925614 0.756259
H 3.222759 -2.410406 1.791076
H 4.870498 -2.097381 2.345476
H 3.726751 -0.765531 2.184828
H 2.725021 1.267268 -2.217244
H 2.723489 2.405082 -0.863747
H 4.216829 1.563235 -1.310003
H -1.657953 2.063463 1.442689
H -0.502567 -1.015030 -1.363470
H -4.082021 1.486740 1.084349
H -2.924160 -1.596235 -1.729190


%chk=000219365-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219365

0 1
O 1.260801 0.008244 -0.437870
O 0.807918 1.709073 1.099963
O -6.048563 0.418725 0.065503
O -5.507127 -1.223262 -1.422160
N -5.190873 -0.289832 -0.588616
C 4.654421 -1.472218 0.283557
C 3.421108 -1.113874 -0.599087
C 2.752540 0.239606 -0.276095
C 5.793847 -0.428074 0.193146
C 4.259923 -1.736066 1.757717
C 3.147302 1.397942 -1.202104
C 0.412668 0.820490 0.303085
C -1.030241 0.503652 0.045641
C -2.009422 1.255483 0.745410
C -1.425655 -0.510664 -0.864705
C -3.377917 1.001687 0.542934
C -2.791564 -0.775906 -1.076654
C -3.745875 -0.013437 -0.367723
H 5.047509 -2.425807 -0.127768
H 2.660423 -1.906785 -0.467204
H 3.717059 -1.127845 -1.666636
H 2.903182 0.528215 0.780441
H 5.496980 0.535990 0.647926
H 6.086620 -0.236577 -0.856388
H 6.689252 -0.784196 0.734994
H 3.476640 -2.513310 1.830586
H 5.135317 -2.078646 2.339739
H 3.876174 -0.822493 2.250174
H 2.881745 1.161897 -2.247986
H 2.642982 2.332830 -0.904546
H 4.237594 1.563280 -1.153515
H -1.674896 2.031525 1.440682
H -0.658077 -1.078955 -1.395554
H -4.155107 1.563797 1.066588
H -3.129291 -1.550292 -1.769875


