%chk=000170261.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170261

0 1
 O    3.437700      -1.042400      -1.903000    
 O    2.076000     -0.1233000       2.397500    
 O   -4.700700      0.1436000      3.1199999E-02
 O  -0.6506000      -2.042200      0.1500000    
 N    2.760500     -0.1367000      0.1522000    
 N   -2.548400     -0.6925000      0.4470000    
 C    1.390300       1.815400     -0.6313000    
 C   0.3132000       1.555800      0.4666000    
 C   -1.135600       1.999800      0.1354000    
 C    2.761700       1.269700     -0.1494000    
 C   -2.129000       1.601200       1.252600    
 C    1.568200       3.321700     -0.8986000    
 C   0.9987000       1.125000      -1.953200    
 C   -1.198500       3.523200     -5.0000001E-02
 C   -2.151600      0.1067000       1.573700    
 C    3.093700      -1.131800     -0.7366000    
 C    2.426300     -0.6792000       1.370400    
 C    2.958700      -2.405300     -1.2700000E-02
 C    2.564200      -2.137600       1.232800    
 C   -3.758700     -0.5954000     -0.2003000    
 C   -1.773300      -1.665300     -0.1402000    
 C   -3.738100      -1.589000      -1.284900    
 C   -2.564500      -2.221400      -1.249200    
 H   0.6277000       2.020300       1.410200    
 H   0.2745000      0.4797000      0.6339000    
 H   -1.470000       1.525600     -0.7939000    
 H    3.527200       1.449300     -0.9146000    
 H    3.068000       1.807200      0.7571000    
 H   -3.135200       1.938800      0.9771000    
 H   -1.868800       2.141000       2.172600    
 H    1.556400       3.909400      2.4000000E-02
 H    2.548500       3.506300      -1.358400    
 H   0.8615000       3.725800      -1.623300    
 H   0.7444000      7.1099997E-02  -1.801100    
 H   0.1286000       1.603600      -2.415400    
 H    1.814700       1.178200      -2.682700    
 H  -0.5599000       4.063600      0.6538000    
 H   -2.220300       3.882400      0.1281000    
 H  -0.9939000       3.816600      -1.079300    
 H   -2.903200     -5.5900000E-02   2.356200    
 H   -1.197100     -0.2444000       1.976200    
 H    3.150700      -3.374300     -0.4413000    
 H    2.370400      -2.845400       2.020900    
 H   -4.547500      -1.755800      -1.975200    
 H   -2.227300      -3.006200      -1.905100    


%chk=000170261-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170261

0 1
O 3.757419 -0.759260 -1.879348
O 1.779666 -0.525295 2.374833
O -4.949223 -0.292618 0.674634
O -0.526413 -1.636675 -0.160126
N 2.677620 -0.240768 0.182258
N -2.609072 -0.706445 0.529891
C 1.502374 1.951435 -0.523966
C 0.323599 1.873231 0.508187
C -1.140463 2.046166 0.014961
C 2.748067 1.229279 0.101017
C -2.130076 1.687713 1.162047
C 1.965668 3.417612 -0.756464
C 1.137291 1.290046 -1.876287
C -1.469669 3.465677 -0.507131
C -2.150878 0.203327 1.599416
C 3.211956 -1.115753 -0.805035
C 2.232292 -0.995911 1.300194
C 3.029595 -2.515184 -0.278273
C 2.454439 -2.444292 0.951110
C -3.968468 -0.877993 0.152952
C -1.777276 -1.541323 -0.255252
C -3.973222 -1.895063 -0.963392
C -2.691190 -2.282434 -1.202131
H 0.513352 2.617864 1.311417
H 0.388542 0.884614 0.993914
H -1.316314 1.330758 -0.814760
H 3.640385 1.465585 -0.508431
H 2.909234 1.606417 1.128881
H -3.158023 1.973900 0.866040
H -1.881702 2.291228 2.059280
H 2.326636 3.874790 0.185379
H 2.789635 3.457964 -1.494139
H 1.144488 4.045900 -1.136990
H 0.748323 0.266089 -1.729285
H 0.365072 1.876514 -2.406122
H 2.025172 1.223688 -2.530480
H -1.222688 4.233717 0.251353
H -2.547491 3.557205 -0.740421
H -0.912737 3.709488 -1.428345
H -2.842678 0.084191 2.452754
H -1.152413 -0.146701 1.913552
H 3.334139 -3.389530 -0.853134
H 2.168283 -3.246867 1.630370
H -4.896015 -2.216849 -1.446171
H -2.307636 -2.998535 -1.928959


