%chk=000179058.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179058

0 1
O -2.707961 1.551692 0.490245
O -4.400571 0.984602 -0.899642
C 0.663112 1.263637 -1.259193
C 1.592747 0.253921 -0.497557
C 2.864985 1.050398 -0.067373
C 1.554802 2.522666 -1.496704
C 2.575074 2.539106 -0.355246
C -0.521917 1.696052 -0.349494
C 2.008055 -1.015597 -1.270410
C 0.139365 0.758610 -2.606085
C 3.231532 0.790161 1.378112
C -1.735760 0.765755 -0.314844
C 0.907648 -2.031743 -1.259192
C -1.573094 -0.552504 0.409706
C 4.536723 0.082276 1.583831
C 2.457661 1.151324 2.405575
C 0.676509 -2.927163 -0.286752
C -1.946978 -1.689387 -0.198218
C -0.569505 -3.781845 -0.331906
C -1.747027 -3.065739 0.363564
C -0.990203 -0.481603 1.782665
C 1.552438 -3.131035 0.907969
C -4.022575 1.551109 0.100476
C -4.822193 2.344872 1.076630
H 1.052478 -0.089330 0.425570
H 3.715828 0.746411 -0.725210
H 0.964701 3.450274 -1.539220
H 2.069460 2.447427 -2.470767
H 3.493303 3.083510 -0.625298
H 2.164233 3.051263 0.532965
H -0.886856 2.691580 -0.682983
H -0.151443 1.869467 0.680678
H 2.925189 -1.440669 -0.811330
H 2.293547 -0.763569 -2.310084
H -0.421328 -0.179473 -2.497299
H -0.524218 1.491876 -3.076847
H 0.956361 0.558804 -3.308673
H -2.178027 0.631715 -1.331107
H 0.224144 -1.953924 -2.107348
H 4.557175 -0.880964 1.056799
H 5.375455 0.682836 1.205514
H 4.742179 -0.123860 2.642206
H 2.709897 0.968742 3.437047
H 1.515480 1.664135 2.289995
H -2.397608 -1.675047 -1.192510
H -0.842936 -4.015741 -1.379974
H -0.394909 -4.760837 0.153470
H -1.561523 -3.025721 1.457637
H -2.671750 -3.663340 0.235207
H -1.380283 0.383898 2.336183
H 0.111770 -0.380047 1.720233
H -1.201823 -1.381361 2.374943
H 0.964175 -3.150077 1.835182
H 2.301463 -2.335631 1.022723
H 2.092615 -4.084439 0.838659
H -4.193720 2.818115 1.846924
H -5.553453 1.700912 1.589820
H -5.389344 3.136400 0.563638


%chk=000179058-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179058

0 1
O -2.790269 1.749030 0.418315
O -4.457359 0.988502 -1.038724
C 0.693683 1.205079 -1.244707
C 1.624874 0.171400 -0.451347
C 2.932575 0.956852 -0.077841
C 1.640271 2.435400 -1.471032
C 2.575683 2.464360 -0.249315
C -0.500735 1.705928 -0.348636
C 2.010863 -1.180761 -1.148343
C 0.165220 0.727024 -2.618892
C 3.604941 0.640727 1.257701
C -1.771063 0.826971 -0.249501
C 0.880014 -2.188099 -1.200306
C -1.698970 -0.454479 0.567438
C 4.954244 1.315882 1.463487
C 3.084630 -0.166619 2.221297
C 0.557748 -3.128651 -0.264742
C -2.032229 -1.626327 -0.047168
C -0.796659 -3.824127 -0.349315
C -1.885896 -3.036778 0.475296
C -1.289041 -0.313013 2.021065
C 1.384277 -3.445583 0.968126
C -4.102329 1.686379 -0.060693
C -5.013036 2.560051 0.778949
H 1.088801 -0.102958 0.472824
H 3.682088 0.730313 -0.872148
H 1.077527 3.375682 -1.617614
H 2.245401 2.266672 -2.385128
H 3.466690 3.098256 -0.406742
H 2.050527 2.840482 0.649311
H -0.850299 2.669643 -0.770152
H -0.131745 1.930043 0.670364
H 2.866712 -1.594904 -0.579847
H 2.389537 -0.972366 -2.168631
H -0.520503 -0.132608 -2.543837
H -0.385510 1.549225 -3.116035
H 0.996593 0.436159 -3.286244
H -2.169708 0.603592 -1.253957
H 0.184497 -2.080341 -2.044596
H 5.646020 1.077870 0.631372
H 4.851360 2.418013 1.485963
H 5.427972 0.999082 2.408196
H 3.620433 -0.339313 3.162424
H 2.124179 -0.679374 2.112051
H -2.377699 -1.565546 -1.091689
H -1.134303 -3.882741 -1.402177
H -0.746190 -4.860343 0.040138
H -1.612354 -3.048026 1.545889
H -2.846778 -3.581625 0.379714
H -1.920915 0.450101 2.512932
H -0.241679 0.028953 2.131506
H -1.395549 -1.257465 2.578859
H 0.825997 -3.210555 1.897735
H 2.336397 -2.892139 1.001082
H 1.615456 -4.528495 1.008605
H -4.477697 3.449312 1.146675
H -5.360129 1.984861 1.657094
H -5.893466 2.854294 0.187854


