%chk=000108487.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108487

0 1
 O    4.664700      0.6648000      0.8663000    
 O   -1.430200      -3.109900      0.9260000    
 O   -1.763300      -2.728600      -1.831000    
 N    1.909000      -1.701800      0.1386000    
 C    2.092900       1.885300     -7.5599998E-02
 C    2.984000      0.8968000     -0.8387000    
 C    1.371700       2.832200      -1.039000    
 C    3.757000     -8.1699997E-02  5.7500001E-02
 C   0.4942000       3.871200     -0.3336000    
 C  -0.6498000       3.314100      0.5195000    
 C    2.842100     -0.9240000      0.9514000    
 C   -1.619000       2.425100     -0.2636000    
 C   -2.686400       1.828600      0.6570000    
 C   0.7418000      -2.090600      0.9298000    
 C   -3.706000      0.9536000     -7.8599997E-02
 C  -0.3158000      -2.803100      8.3300002E-02
 C    2.571200      -2.885200     -0.4096000    
 C   -4.749700      0.2631000      0.8029000    
 C  -0.8122000      -1.966600      -1.094000    
 C   -5.696100     -0.6432000      3.1500001E-02
 H    1.344600       1.335500      0.5022000    
 H    2.695000       2.467500      0.6313000    
 H    3.709600       1.477100      -1.423600    
 H    2.376500      0.3399000      -1.562300    
 H   0.7774000       2.257500      -1.757900    
 H    2.122100       3.371900      -1.630800    
 H    4.377600     -0.7245000     -0.5750000    
 H    1.128600       4.499700      0.3038000    
 H   7.0299998E-02   4.536400      -1.096300    
 H  -0.2364000       2.756100       1.367700    
 H   -1.204300       4.157600      0.9494000    
 H    2.316700     -0.2553000       1.645000    
 H    3.446300      -1.569000       1.604600    
 H   -1.081800       1.600400     -0.7434000    
 H   -2.095900       3.010600      -1.058300    
 H   -2.196400       1.226600       1.432300    
 H   -3.219200       2.636900       1.172700    
 H    1.023100      -2.726400       1.780500    
 H   0.2735000      -1.198900       1.369100    
 H   -3.171000      0.1869000     -0.6492000    
 H   -4.228000       1.573200     -0.8190000    
 H   4.5200001E-02  -3.773700     -0.2726000    
 H    2.834100      -3.611600      0.3684000    
 H    3.489700      -2.627400     -0.9460000    
 H    1.950100      -3.386400      -1.158400    
 H   -5.334800       1.024100       1.332600    
 H   -4.237100     -0.3327000       1.567400    
 H    5.249400       1.164000      0.2710000    
 H   -1.307900      -1.059900     -0.7398000    
 H  -3.0000001E-04  -1.692600      -1.773500    
 H   -5.144600      -1.440900     -0.4764000    
 H   -6.251600     -7.5999998E-02 -0.7219000    
 H   -6.417900      -1.106800      0.7112000    
 H   -2.102900      -3.544300      0.3739000    
 H   -2.074700      -2.165900      -2.560400    


%chk=000108487-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108487

0 1
O 4.964147 0.726714 0.467699
O -0.709810 -3.387152 1.823222
O -2.110339 -1.929468 -0.023102
N 2.307924 -1.888914 0.177705
C 2.086472 1.685472 -0.136323
C 2.976640 0.819354 -1.054994
C 1.307698 2.765344 -0.921893
C 3.996221 -0.075171 -0.318114
C 0.386784 3.648937 -0.041473
C -0.795411 2.910533 0.636760
C 3.376306 -1.021653 0.731192
C -1.813375 2.301546 -0.355357
C -3.040912 1.673046 0.342429
C 1.426347 -2.463890 1.227210
C -4.061738 1.061000 -0.645755
C 0.006804 -2.751482 0.708748
C 2.839016 -2.929159 -0.732601
C -5.246802 0.348963 0.048055
C -0.733146 -1.481681 0.274189
C -6.251481 -0.262057 -0.952515
H 1.377514 1.025352 0.399262
H 2.716496 2.173958 0.634223
H 3.534265 1.477792 -1.757423
H 2.334420 0.163189 -1.675311
H 0.714116 2.283789 -1.726074
H 2.038296 3.423162 -1.437139
H 4.555751 -0.666264 -1.076674
H 1.005693 4.130207 0.743647
H -0.023188 4.471348 -0.664122
H -0.410468 2.111971 1.303380
H -1.327542 3.627667 1.295391
H 2.945736 -0.393092 1.529948
H 4.207774 -1.610909 1.190555
H -1.315376 1.529463 -0.976780
H -2.155409 3.091166 -1.057025
H -2.699552 0.895684 1.059845
H -3.550187 2.444503 0.955748
H 1.831272 -3.410408 1.658114
H 1.342510 -1.743910 2.061953
H -3.546307 0.346036 -1.327373
H -4.452244 1.859969 -1.309180
H 0.034601 -3.446614 -0.158396
H 3.579401 -3.599859 -0.229060
H 3.333274 -2.466236 -1.604303
H 2.014441 -3.555452 -1.112941
H -5.768929 1.075187 0.702837
H -4.861387 -0.446689 0.719570
H 5.420704 1.355569 -0.146460
H -0.734753 -0.743944 1.104817
H -0.243188 -1.041319 -0.615001
H -5.762295 -1.016828 -1.597076
H -6.677158 0.517169 -1.612485
H -7.090222 -0.758046 -0.430964
H -1.672897 -3.367286 1.576003
H -2.681404 -1.156915 -0.258190


