%chk=000291829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291829

0 1
O -0.500266 1.767541 -0.959437
O 0.497255 1.767069 0.961358
O 2.356415 -4.338542 -0.191563
O -2.353120 -4.341121 0.186032
O 3.335547 -2.640164 -1.101615
O -3.333840 -2.644936 1.098458
N -0.001195 1.216556 0.000667
N 2.396114 -3.172742 -0.542586
N -2.393932 -3.175835 0.538626
C -1.214962 -0.948111 0.252351
C 1.214936 -0.946568 -0.253467
C -0.000369 -0.274269 -0.000158
C 1.184161 -2.363871 -0.268347
C -1.182786 -2.365412 0.265410
C 0.001032 -3.062786 -0.001932
C -2.460388 -0.231247 0.518110
C 2.459602 -0.228069 -0.518255
C -3.048869 0.623191 -0.333617
C 3.046964 0.626234 0.334392
C -4.333320 1.280603 -0.053267
C 4.330560 1.285638 0.054819
C -5.369427 0.596934 0.604558
C -4.526365 2.611365 -0.465533
C 5.367654 0.604197 -0.603646
C 4.521698 2.616278 0.468579
C -6.584185 1.242019 0.851010
C -5.739659 3.251618 -0.207231
C 6.581583 1.251266 -0.849262
C 5.734067 3.258494 0.211096
C -6.769736 2.568404 0.449400
C 6.765213 2.577422 -0.446196
H 0.001594 -4.171236 -0.002667
H -2.931195 -0.490819 1.482013
H 2.930953 -0.486162 -1.482306
H -2.590128 0.882152 -1.299717
H 2.587840 0.883583 1.300748
H -5.230448 -0.441043 0.913152
H -3.726168 3.146595 -0.977325
H 5.230192 -0.433624 -0.913456
H 3.720654 3.149759 0.980874
H -7.387402 0.708276 1.358115
H -5.884997 4.285167 -0.519445
H 7.385566 0.719135 -1.356841
H 5.877995 4.291908 0.524412
H -7.716424 3.070060 0.645930
H 7.711186 3.080693 -0.642039


%chk=000291829-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291829

0 1
O 0.011716 1.584643 -1.140701
O -0.015794 1.584007 1.140542
O 2.357207 -4.629900 -0.109907
O -2.352704 -4.633121 0.105353
O 3.294999 -2.976717 -1.362040
O -3.292569 -2.981948 1.358642
N -0.001607 0.989118 -0.000240
N 2.351888 -3.438059 -0.607317
N -2.348981 -3.441568 0.603465
C -1.243426 -1.146286 0.287434
C 1.243380 -1.144370 -0.289259
C -0.000468 -0.505617 -0.000661
C 1.176917 -2.580798 -0.312735
C -1.175071 -2.582619 0.309593
C 0.001376 -3.278523 -0.001876
C -2.501188 -0.417392 0.512393
C 2.500209 -0.413560 -0.513399
C -2.929803 0.683821 -0.189756
C 2.927595 0.687109 0.190351
C -4.203042 1.384978 0.016092
C 4.200035 1.390012 -0.014445
C -5.191775 0.959363 0.953163
C -4.463706 2.550816 -0.762945
C 5.189425 0.966686 -0.951859
C 4.459245 2.555151 0.766123
C -6.389568 1.681184 1.105863
C -5.663026 3.274361 -0.606897
C 6.386445 1.690039 -1.103397
C 5.657784 3.280239 0.611228
C -6.631370 2.841971 0.328827
C 6.626799 2.850110 -0.324843
H 0.002097 -4.370927 -0.002381
H -3.155770 -0.866694 1.261056
H 3.155247 -0.861001 -1.262768
H -2.312140 1.085130 -1.004093
H 2.309551 1.086460 1.005357
H -5.030349 0.058929 1.555251
H -3.712178 2.888202 -1.487247
H 5.029126 0.066804 -1.555065
H 3.707210 2.890778 1.490714
H -7.141452 1.341176 1.826115
H -5.844132 4.169474 -1.211275
H 7.138861 1.351772 -1.823914
H 5.837768 4.174786 1.216776
H -7.566634 3.399130 0.450701
H 7.561474 3.408453 -0.445817


