%chk=000044812.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044812

0 1
 O   -2.225200       1.368100      -1.026000    
 O    6.137700     -0.4220000     -0.1565000    
 O   -1.528000       3.257900      -2.157000    
 N    3.341300     -0.1735000     -0.6252000    
 C  -0.5300000     -0.2115000     -8.6599998E-02
 C   0.9559000     -0.6906000     -0.3523000    
 C  -0.9663000      0.7407000      -1.286400    
 C    2.029100      0.4110000     -0.3556000    
 C  -0.4992000      0.5147000       1.301500    
 C   -1.516800      -1.417100      2.6300000E-02
 C   -1.005500      0.1612000      -2.718300    
 C    4.289800      0.8569000      -1.070300    
 C    3.862900     -0.8568000      0.5667000    
 C  -0.7182000     -0.2103000       2.472900    
 C   -2.855800      -1.194400      0.3478000    
 C  -0.2525000       1.886100       1.365900    
 C   -1.059300      -2.716200     -0.1946000    
 C   -1.943900      -1.013000      -2.950600    
 C    5.653900      0.2254000      -1.333800    
 C    5.237400      -1.447200      0.2654000    
 C  -0.6906000      0.4359000       3.708600    
 C   -3.737200      -2.270800      0.4485000    
 C  -0.2249000       2.532300       2.601800    
 C   -1.940900      -3.792500     -9.3900003E-02
 C   -2.365400       2.630400      -1.522900    
 C  -0.4439000       1.807200       3.773200    
 C   -3.279800      -3.569700      0.2276000    
 C   -3.724600       3.157900      -1.176300    
 H    1.214000      -1.411900      0.4324000    
 H    1.011600      -1.228900      -1.307200    
 H  -0.2127000       1.531500      -1.343500    
 H    1.795900       1.121400      -1.154600    
 H    2.060900      0.9722000      0.5823000    
 H   -1.311800      0.9537000      -3.412200    
 H   3.8999999E-03 -0.1317000      -3.028100    
 H    4.389100       1.637600     -0.3048000    
 H    3.937300       1.328900      -1.994500    
 H    3.215700      -1.679500      0.8831000    
 H    3.949100     -0.1519000       1.404100    
 H  -0.8734000      -1.284400       2.477900    
 H   -3.240600     -0.1994000      0.5467000    
 H  -6.0199998E-02   2.491000      0.4879000    
 H  -3.5399999E-02  -2.955000     -0.4557000    
 H   -2.114200      -1.124300      -4.028100    
 H   -2.923200     -0.8594000      -2.491000    
 H   -1.508200      -1.957100      -2.626500    
 H    5.613200     -0.4967000      -2.158400    
 H    6.376600       1.000600      -1.607900    
 H    5.654000      -1.903000       1.169500    
 H    5.183500      -2.226900     -0.5043000    
 H  -0.8516000     -0.1298000       4.621700    
 H   -4.778700      -2.098100      0.7034000    
 H  -2.8600000E-02   3.599300       2.653000    
 H   -1.586100      -4.804300     -0.2677000    
 H  -0.4193000       2.309800       4.735500    
 H   -3.966000      -4.407800      0.3066000    
 H   -3.840300       3.196900     -9.0200000E-02
 H   -3.833500       4.170500      -1.575200    
 H   -4.493300       2.522500      -1.623300    


%chk=000044812-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044812

0 1
O -2.275234 1.290918 -1.041871
O 6.236690 -0.409070 0.004867
O -1.585686 3.398066 -1.779362
N 3.389193 -0.217280 -0.569161
C -0.520705 -0.234841 -0.140463
C 0.951004 -0.730637 -0.400034
C -0.909658 0.728403 -1.317525
C 2.023087 0.369688 -0.564322
C -0.506403 0.520762 1.224008
C -1.492641 -1.444475 -0.040848
C -0.904148 0.181193 -2.766805
C 4.380093 0.645213 -1.265816
C 3.884908 -0.544781 0.794581
C -0.466789 -0.246154 2.419835
C -2.832196 -1.230358 0.386472
C -0.433793 1.933251 1.344783
C -1.102670 -2.775282 -0.339825
C -2.079598 -0.728658 -3.188972
C 5.737219 -0.073706 -1.339235
C 5.248078 -1.249100 0.702063
C -0.365169 0.367492 3.686040
C -3.750341 -2.295797 0.481218
C -0.340606 2.553082 2.612594
C -2.019336 -3.848884 -0.241334
C -2.481226 2.641603 -1.333857
C -0.304323 1.776273 3.791039
C -3.351156 -3.615447 0.163118
C -3.902696 3.041183 -1.005538
H 1.228812 -1.378797 0.451634
H 0.991174 -1.364963 -1.303161
H -0.215607 1.588587 -1.301077
H 1.886364 0.882033 -1.535866
H 1.913625 1.145657 0.230815
H -0.890616 1.068510 -3.429783
H 0.056053 -0.341594 -2.939870
H 4.515565 1.625790 -0.743166
H 4.019731 0.851309 -2.291746
H 3.165297 -1.212046 1.303479
H 3.990037 0.379096 1.417822
H -0.530540 -1.338741 2.357510
H -3.149688 -0.216679 0.644168
H -0.445944 2.577296 0.459792
H -0.079617 -2.999070 -0.654884
H -2.023720 -0.924665 -4.275703
H -3.047615 -0.241386 -2.979628
H -2.072645 -1.697244 -2.665373
H 5.630645 -1.002320 -1.941016
H 6.508810 0.574080 -1.787414
H 5.671396 -1.430269 1.703987
H 5.130878 -2.214587 0.163735
H -0.338297 -0.253142 4.589049
H -4.777540 -2.097729 0.808600
H -0.291361 3.646382 2.673538
H -1.687609 -4.865942 -0.480383
H -0.230232 2.258149 4.772325
H -4.062763 -4.445392 0.238394
H -4.027615 3.088059 0.091708
H -4.119840 4.030464 -1.433752
H -4.615333 2.292394 -1.388587


