%chk=000247096.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247096

0 1
O 0.927278 2.230811 -1.090015
O 2.572247 1.529453 0.286295
O 1.310730 -0.856124 2.218421
O 3.063758 -1.967258 -1.925670
O -4.847593 -0.373636 0.511388
N 1.319373 -0.491715 -1.344146
N 2.361209 -1.707160 0.314260
C 0.773910 0.031159 -0.053509
C 1.157281 1.534163 0.145440
C 1.479256 -0.863533 1.025772
C -0.728227 -0.116565 0.036835
C 2.361181 -1.437063 -1.102421
C -1.355488 0.036199 1.292566
C -1.506493 -0.387665 -1.094110
C 3.207334 -2.744102 0.933036
C -2.733275 -0.055077 1.411460
C -2.898999 -0.485591 -0.999380
C -3.499258 -0.316975 0.253026
C -0.267530 3.036390 -1.127543
C 3.167797 2.830128 0.496918
C -5.737935 -0.686916 -0.587949
H 0.650860 2.012966 1.002376
H 1.455981 0.210212 -2.081533
H -0.746774 0.206915 2.188160
H -1.033809 -0.532011 -2.069321
H 4.094341 -2.934594 0.300991
H 2.644802 -3.687966 1.043742
H 3.541399 -2.413798 1.933181
H -3.234093 0.055696 2.371231
H -3.484217 -0.699606 -1.887229
H -1.154671 2.407399 -0.993513
H -0.238587 3.457066 -2.141126
H -0.219219 3.829764 -0.376808
H 4.240200 2.597017 0.483895
H 2.861259 3.228326 1.467437
H 2.901679 3.501830 -0.325817
H -5.684037 0.091321 -1.354057
H -6.716793 -0.682914 -0.089964
H -5.508980 -1.677246 -0.992316


%chk=000247096-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247096

0 1
O 0.834901 2.266480 -1.065820
O 2.672620 1.489264 0.191950
O 1.358439 -0.837835 2.245567
O 3.064469 -2.049001 -1.964863
O -4.942473 -0.323675 0.431099
N 1.365307 -0.509407 -1.317890
N 2.347032 -1.747551 0.296769
C 0.800271 0.007358 -0.065664
C 1.240944 1.498801 0.116375
C 1.514535 -0.883006 0.999836
C -0.725934 -0.117826 0.031106
C 2.336367 -1.481932 -1.116858
C -1.388518 0.203264 1.248450
C -1.500081 -0.536807 -1.072000
C 3.225456 -2.743339 0.910575
C -2.787424 0.122200 1.346992
C -2.909097 -0.620179 -0.988656
C -3.555908 -0.283384 0.225556
C -0.311942 3.168224 -0.865825
C 3.260584 2.813494 0.437139
C -5.780248 -0.770207 -0.685030
H 0.784066 1.941013 1.031323
H 1.363499 0.063193 -2.162636
H -0.801579 0.474076 2.132534
H -0.998681 -0.816751 -2.003554
H 3.787729 -3.235348 0.100843
H 2.633316 -3.490208 1.466112
H 3.926994 -2.257467 1.610007
H -3.306510 0.355209 2.281550
H -3.479025 -0.950658 -1.862087
H -1.248756 2.602889 -0.710155
H -0.384725 3.762239 -1.790336
H -0.141136 3.844711 -0.003941
H 4.347368 2.651447 0.485591
H 2.902042 3.230287 1.400943
H 3.015181 3.505274 -0.388341
H -5.683472 -0.094780 -1.557423
H -6.810496 -0.735318 -0.301948
H -5.529215 -1.805445 -0.987287


