%chk=000187000.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187000

0 1
O 0.968287 0.984718 -0.798771
O -1.285036 1.526045 1.132002
O -2.593419 1.816632 -0.683653
O 2.398670 2.894068 1.943732
O 4.617821 2.624660 0.095590
O 4.468142 -0.068099 -1.256547
O 2.191400 -0.933374 -0.261645
O -2.386858 -1.156681 1.502836
O -5.126567 -1.207651 0.496809
O -5.571007 1.126339 -0.538249
N 1.065868 -3.113847 -2.657787
C 1.067223 1.586436 0.521566
C 2.331282 2.467942 0.577916
C 3.587768 1.636989 0.232574
C 3.418470 0.875864 -1.101878
C 2.045961 0.166789 -1.195015
C -0.223642 2.393967 0.677266
C -1.942274 0.796158 0.096747
C -3.006052 -0.044067 0.836969
C -3.966413 -0.694432 -0.175099
C -4.556072 0.339691 -1.164857
C -3.505967 1.336857 -1.683340
C 1.240454 -1.958082 -0.349084
C 0.562225 -2.312572 0.769149
C 1.143924 -2.598543 -1.625680
C 0.741137 -1.587333 2.058198
C -0.400570 -3.447599 0.776006
H 1.123312 0.757344 1.277031
H 2.264289 3.364075 -0.080472
H 3.861920 0.945707 1.061251
H 3.562797 1.568406 -1.969156
H 1.760895 -0.174640 -2.210819
H -0.522321 2.907716 -0.255559
H -0.140246 3.119182 1.515026
H -1.219844 0.232189 -0.525982
H -3.547583 0.579639 1.586844
H -3.468451 -1.541884 -0.699350
H -5.042456 -0.195153 -2.017541
H -2.921996 0.910648 -2.517636
H -4.001452 2.284504 -1.993585
H 3.220318 3.427488 2.079416
H 5.454267 2.197651 -0.207200
H 4.309375 -0.865564 -0.685420
H -1.683220 -0.824557 2.122593
H -4.851973 -1.722713 1.291700
H -6.087519 0.566634 0.099825
H -0.224070 -1.405408 2.562090
H 1.370187 -2.163760 2.754268
H 1.236890 -0.602631 1.921269
H -1.438351 -3.060750 0.846230
H -0.251377 -4.108424 1.642479
H -0.356347 -4.082174 -0.119756


%chk=000187000-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187000

0 1
O 0.891666 1.064545 -0.822918
O -1.403321 1.720657 1.183237
O -2.682590 1.904253 -0.800183
O 2.412634 3.093257 1.923537
O 4.693652 2.482178 0.301568
O 4.484344 0.048547 -1.365372
O 2.141538 -0.966382 -0.340778
O -2.631948 -0.784151 1.830290
O -5.004365 -1.427995 0.326739
O -5.576321 0.926129 -0.910606
N -0.296958 -2.202849 -2.542372
C 1.011310 1.695939 0.531638
C 2.307093 2.529645 0.577830
C 3.507021 1.623135 0.268765
C 3.356727 0.949983 -1.108331
C 1.997280 0.231429 -1.216842
C -0.250212 2.532162 0.746004
C -2.054920 0.969293 0.142876
C -3.161300 0.146822 0.817242
C -3.857422 -0.709669 -0.245461
C -4.416522 0.173403 -1.384091
C -3.350619 1.162815 -1.889283
C 1.013566 -1.845577 -0.284340
C 0.673571 -2.454339 0.896067
C 0.301743 -2.062659 -1.514036
C 1.428468 -2.170399 2.173557
C -0.482906 -3.423937 0.983042
H 1.061997 0.899548 1.300202
H 2.270091 3.337742 -0.185128
H 3.580755 0.838886 1.053750
H 3.415809 1.718239 -1.898523
H 1.764854 -0.085550 -2.248429
H -0.511556 3.087714 -0.172894
H -0.070150 3.233754 1.575321
H -1.330854 0.326309 -0.405068
H -3.879495 0.856784 1.273172
H -3.118390 -1.429587 -0.657922
H -4.708089 -0.488092 -2.229266
H -2.594958 0.612490 -2.490696
H -3.831778 1.933935 -2.509610
H 3.320763 3.484904 2.007261
H 5.464471 1.953599 -0.031434
H 4.291149 -0.807880 -0.898078
H -2.149114 -0.235215 2.500209
H -4.714439 -1.818454 1.190836
H -6.111356 0.290667 -0.362186
H 0.718788 -1.967609 2.997826
H 2.018227 -3.058320 2.475487
H 2.120874 -1.320437 2.072045
H -1.329194 -2.932483 1.503404
H -0.198375 -4.316313 1.570960
H -0.839442 -3.756468 -0.005717


