%chk=000213581.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213581

0 1
O 3.609929 -0.896525 -2.398069
O 1.771947 1.514851 -0.070034
O -3.292969 2.652572 -0.079479
O -0.429073 2.800111 -0.139258
N 1.886838 -0.759442 0.025609
C 3.390259 -0.823663 0.057965
C 3.954541 -0.149191 -1.227090
C 3.787408 -2.303901 0.092785
C 3.911523 -0.077905 1.291577
C 1.172930 0.426407 0.006703
C -0.310737 0.376415 0.044679
C -1.024860 -0.838244 0.160802
C -2.412795 -0.853935 0.188644
C -1.019448 1.586510 -0.034861
C -2.454714 1.567439 -0.007741
C -3.132272 0.358223 0.101031
C -3.156206 -2.155285 0.327057
C -2.808662 -3.122662 -0.768716
C -2.704937 3.974313 -0.200908
C -2.615433 -4.424089 -0.567201
H 3.599836 0.895155 -1.326016
H 5.059505 -0.169467 -1.233208
H 1.391076 -1.648008 0.104954
H 4.873836 -2.410455 0.209536
H 3.323179 -2.851805 0.917921
H 3.534352 -2.804682 -0.854539
H 3.611864 0.983168 1.272014
H 5.003873 -0.109783 1.352986
H 3.518661 -0.503358 2.221469
H -0.481429 -1.780620 0.228085
H -4.222807 0.364047 0.117123
H -2.950618 -2.588205 1.330982
H -4.257234 -1.988696 0.312143
H 2.652906 -0.801092 -2.586032
H -2.738840 -2.675267 -1.762912
H 0.618008 2.726692 -0.140973
H -2.117305 4.042358 -1.122348
H -2.084677 4.192452 0.674745
H -3.597422 4.608941 -0.237764
H -2.386014 -5.116789 -1.364209
H -2.676121 -4.903084 0.398644


%chk=000213581-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213581

0 1
O 3.483768 -0.431686 -2.462541
O 1.805821 1.573687 0.208311
O -3.227401 2.805746 0.242484
O -0.329963 2.853265 0.247773
N 1.881105 -0.734533 -0.023426
C 3.373853 -0.878246 0.011389
C 4.010555 -0.051079 -1.147710
C 3.669408 -2.380339 -0.198207
C 3.935633 -0.384310 1.366736
C 1.177822 0.434008 0.114208
C -0.311596 0.393469 0.130951
C -1.054179 -0.820771 0.133297
C -2.460684 -0.820200 0.157564
C -1.006114 1.652350 0.173865
C -2.438915 1.652393 0.160031
C -3.134189 0.428395 0.156239
C -3.252640 -2.128967 0.213506
C -2.683445 -3.228926 -0.662990
C -2.846589 4.000822 -0.543435
C -2.290336 -4.451208 -0.222952
H 3.869149 1.027599 -0.953062
H 5.088009 -0.283103 -1.193904
H 1.351364 -1.600521 -0.132168
H 4.753155 -2.563943 -0.102847
H 3.155944 -2.999706 0.561431
H 3.360957 -2.699134 -1.210076
H 3.663902 0.669220 1.543220
H 5.037619 -0.470567 1.370991
H 3.539505 -0.996264 2.196599
H -0.549445 -1.794759 0.132377
H -4.228902 0.475422 0.160186
H -3.304874 -2.491797 1.259787
H -4.296523 -1.921437 -0.096485
H 2.565392 -0.071365 -2.547922
H -2.598564 -2.987340 -1.733819
H 0.687761 2.607818 0.269971
H -2.814583 3.754732 -1.622358
H -1.870422 4.391334 -0.219841
H -3.652107 4.725004 -0.348524
H -1.904030 -5.213020 -0.909489
H -2.357324 -4.728540 0.836939


