%chk=000135928.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135928

0 1
 O   6.4900003E-02   2.119600      0.7773000    
 O   -3.086300       1.933100      0.2716000    
 O    2.628600       3.662000      0.3344000    
 N   0.6085000      -2.935700      0.8170000    
 N   -3.744100     -6.1799999E-02  -1.939800    
 C  -5.5700000E-02 -0.1828000      0.3604000    
 C  -0.7320000      -1.298600     -0.4429000    
 C  -0.7517000       1.142100      9.9600002E-02
 C   0.3974000      -2.376800     -0.5439000    
 C   -2.272900      0.8215000     -1.1000000E-02
 C   -1.321200     -0.7827000      -1.801200    
 C   0.2388000     -0.6512000       1.827600    
 C   -2.396200      0.3622000      -1.544000    
 C    1.229700      0.3315000     -0.1101000    
 C   -1.993200      -1.564200      0.4057000    
 C    1.735300      -1.798600      -1.225900    
 C   -2.697300     -0.4508000      0.7287000    
 C    1.059100      -1.963000       1.822500    
 C    2.149700     -0.4032000     -0.8080000    
 C    1.313300       1.677400      0.2663000    
 C    1.436900      -4.136300      0.8288000    
 C    3.318400      0.2863000      -1.099400    
 C    2.468600       2.360300      5.9000002E-03
 C    3.479300       1.644100     -0.6788000    
 C   -3.078200       2.265700       1.659100    
 H  -0.5886000       1.515700     -0.9321000    
 H   2.7600000E-02  -3.190400      -1.181900    
 H   -1.769100      -1.616200      -2.358100    
 H  -0.5272000     -0.3806000      -2.442000    
 H  -0.6809000     -0.8088000       2.401300    
 H   0.7944000      9.9299997E-02   2.406200    
 H   -2.168700       1.214600      -2.198700    
 H   -2.254200      -2.550500      0.7663000    
 H    1.555600      -1.768000      -2.308500    
 H    2.571500      -2.487200      -1.068600    
 H   -3.597500     -0.5107000       1.327000    
 H    2.120700      -1.725600       1.678100    
 H   0.9819000      -2.409400       2.821800    
 H   -3.756100     -0.2740000      -2.936400    
 H   -4.396400      0.7079000      -1.796900    
 H    1.393300      -4.616200       1.813100    
 H    2.488000      -3.929200      0.6047000    
 H    1.066900      -4.873500      0.1082000    
 H    4.118100     -0.1943000      -1.656200    
 H    4.413800       2.145200     -0.9278000    
 H   -2.070600       2.321500       2.076700    
 H   -3.686600       1.562200       2.234100    
 H   -3.539100       3.252600       1.762600    
 H    3.512400       3.950100      4.8099998E-02


%chk=000135928-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135928

0 1
O 0.140344 2.155469 0.866375
O -3.309676 1.834074 0.238978
O 2.767407 3.666026 0.474574
N 0.610113 -2.914913 0.755015
N -3.697721 -0.032065 -2.028470
C -0.049595 -0.163376 0.343350
C -0.713834 -1.276637 -0.493197
C -0.814555 1.132920 0.119052
C 0.406767 -2.356785 -0.616518
C -2.344956 0.770542 0.039821
C -1.275709 -0.676170 -1.836586
C 0.168624 -0.661264 1.812011
C -2.388361 0.406828 -1.552267
C 1.278554 0.324485 -0.114349
C -1.961913 -1.642711 0.320760
C 1.736981 -1.801307 -1.310383
C -2.726581 -0.568576 0.681498
C 1.058820 -1.928742 1.778285
C 2.207901 -0.416712 -0.834059
C 1.388063 1.665948 0.311446
C 1.401703 -4.155407 0.796690
C 3.426837 0.266011 -1.103882
C 2.601839 2.333850 0.061762
C 3.610337 1.595583 -0.637631
C -3.212084 2.452239 1.570975
H -0.599344 1.496572 -0.903366
H 0.056836 -3.201280 -1.244965
H -1.723694 -1.483537 -2.442491
H -0.461098 -0.233792 -2.438262
H -0.786737 -0.886106 2.307410
H 0.678015 0.123572 2.398143
H -2.150858 1.355312 -2.071053
H -2.152630 -2.674002 0.633653
H 1.553389 -1.758120 -2.404462
H 2.531746 -2.560913 -1.171824
H -3.653972 -0.643912 1.260771
H 2.124070 -1.634559 1.615320
H 1.014392 -2.429622 2.764675
H -3.967529 -0.954423 -1.666498
H -4.429491 0.668789 -1.861107
H 1.302939 -4.620577 1.795107
H 2.494533 -4.009282 0.605937
H 1.017376 -4.870495 0.046755
H 4.232783 -0.211308 -1.673493
H 4.563075 2.100858 -0.850733
H -2.209190 2.894287 1.724279
H -3.413222 1.713596 2.373677
H -3.980016 3.240913 1.594258
H 3.658222 4.003318 0.205921


