%chk=000034617.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034617

0 1
 O   -2.079100      -2.885800     -0.7575000    
 O   -3.701800       2.299900     -0.2077000    
 O   0.4140000      -1.392000       2.576100    
 O    5.201100      0.5731000     -0.9146000    
 N   -1.142300       2.775500      0.4055000    
 C   -1.773100     -0.8087000      7.6700002E-02
 C   -2.140200      0.5368000      0.2536000    
 C   -1.320000       1.485800       1.070500    
 C  -0.7032000      -1.635600      0.5099000    
 C   -2.591200      -1.624200     -0.6985000    
 C   -3.314000      0.9994000     -0.3569000    
 C   -3.763200      -1.193400      -1.317500    
 C  -0.9366000      -2.882300     -2.2600001E-02
 C   -4.109500      0.1477000      -1.127500    
 C   0.4218000      -1.302900       1.334000    
 C    1.697600     -0.8032000      0.7345000    
 C  -0.4647000       2.599700     -0.8788000    
 C  -0.3876000       3.692100       1.259700    
 C    1.771100     -0.6682000     -0.6317000    
 C    2.743200     -0.4992000       1.573800    
 C    2.960600     -0.2017000      -1.191400    
 C    3.932400     -3.2600001E-02   1.013900    
 C    4.041200      0.1161000     -0.3687000    
 C    5.243400      0.7033000      -2.334800    
 H   -1.852500       1.632900       2.019800    
 H  -0.3440000       1.073200       1.327500    
 H   -4.374500      -1.859900      -1.914100    
 H  -0.4123000      -3.826100      2.3700001E-02
 H   -5.018000      0.5202000      -1.595900    
 H   0.5215000       2.136300     -0.7637000    
 H  -0.3167000       3.574600      -1.358900    
 H   -1.042500       2.009600      -1.596400    
 H  -0.2966000       4.674600      0.7834000    
 H   0.6203000       3.320900       1.479200    
 H  -0.9107000       3.852300       2.209100    
 H   0.9541000     -0.9014000      -1.305100    
 H    2.685400     -0.6052000       2.652300    
 H   -4.529500       2.444200     -0.6972000    
 H    2.976800     -0.1084000      -2.272000    
 H    4.770800      0.2140000       1.659600    
 H    6.238400       1.078600      -2.595600    
 H    4.518900       1.442600      -2.692800    
 H    5.127100     -0.2661000      -2.831400    


%chk=000034617-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000034617

0 1
O -1.620487 -2.327580 -1.354877
O -4.778121 1.723628 0.780019
O 0.497368 0.091776 1.995074
O 6.108408 -0.628022 -0.995338
N -1.771462 3.013609 0.543594
C -1.879126 -0.410375 -0.032643
C -2.631128 0.672830 0.510526
C -2.064833 1.796968 1.362790
C -0.464941 -0.838403 -0.005958
C -2.539271 -1.354291 -0.878478
C -4.019607 0.689086 0.198207
C -3.896555 -1.326834 -1.204851
C -0.385021 -1.969195 -0.811101
C -4.646410 -0.278693 -0.635546
C 0.680884 -0.364464 0.818257
C 2.069435 -0.471845 0.267348
C -0.572661 2.871197 -0.303961
C -1.729742 4.234350 1.370575
C 2.359839 -0.484691 -1.122067
C 3.157774 -0.491299 1.188890
C 3.689880 -0.531127 -1.590297
C 4.482199 -0.550469 0.740810
C 4.755287 -0.572943 -0.654752
C 6.457593 -0.647847 -2.420535
H -2.837069 2.089436 2.094908
H -1.173209 1.441851 1.920933
H -4.347113 -2.076723 -1.859166
H 0.440161 -2.638255 -1.040020
H -5.722035 -0.208176 -0.841027
H 0.374579 2.748297 0.280885
H -0.467677 3.766853 -0.943525
H -0.683841 1.994868 -0.966351
H -1.585358 5.116203 0.719395
H -0.908334 4.233663 2.132692
H -2.691407 4.353555 1.900511
H 1.542804 -0.419624 -1.847979
H 2.928196 -0.454953 2.258595
H -5.719886 1.674956 0.482803
H 3.882556 -0.521713 -2.666962
H 5.324435 -0.578019 1.438436
H 7.555575 -0.697436 -2.444520
H 6.112985 0.272701 -2.929306
H 6.031238 -1.536351 -2.924491


