%chk=000087609.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087609

0 1
 O  -0.9743000      1.0600000E-02  -1.781700    
 O   -2.215400       2.342200      -1.331500    
 O   -3.239400      -1.730900      -1.292800    
 O   -4.919900       2.213700     -0.2423000    
 O   -4.044100       2.612400       2.395400    
 O   -1.198100      -3.348500     -0.8331000    
 N  -0.4003000      -2.116200      0.9622000    
 C   -1.809500      8.4600002E-02 -0.6186000    
 C   -2.885000       1.146400     -0.9053000    
 C    2.453800      -1.224000      0.8965000    
 C   -2.344900      -1.311500     -0.2709000    
 C    3.726800     -0.8345000      0.1378000    
 C    1.984300      -2.652900      0.6050000    
 C   -3.790200       1.504500      0.2826000    
 C    4.294900      0.5534000      0.4499000    
 C   0.6838000      -2.999300       1.324400    
 C    5.599300      0.8589000     -0.2889000    
 C   -1.257100      -2.366600     -9.4300002E-02
 C   -3.119300       2.384400       1.335500    
 C    6.070700       2.287200     -1.2400000E-02
 C    7.383900       2.586300     -0.7175000    
 H   -1.156700      0.4494000      0.1828000    
 H   -3.491200      0.8302000      -1.763200    
 H    2.631400      -1.118000       1.973800    
 H    1.668000     -0.5062000      0.6331000    
 H   -2.912800      -1.266900      0.6653000    
 H    3.528200     -0.9003000     -0.9395000    
 H    4.501300      -1.581500      0.3544000    
 H    1.844300      -2.770200     -0.4767000    
 H    2.762200      -3.363400      0.9080000    
 H   -4.199700      0.6008000      0.7449000    
 H    4.464600      0.6362000       1.530500    
 H    3.541700       1.307300      0.1897000    
 H   0.8161000      -2.921400       2.408700    
 H   0.3977000      -4.031000       1.093100    
 H    6.371000      0.1446000      2.2299999E-02
 H    5.450400      0.7249000      -1.367200    
 H  -0.5417000      -1.286000       1.529700    
 H   -2.849400       3.364200      0.9295000    
 H   -2.230900       1.901500       1.752000    
 H    6.201300       2.434000       1.066100    
 H    5.310400       3.002100     -0.3478000    
 H  -0.2011000     -0.5343000      -1.557100    
 H   -2.901400       2.991100      -1.564800    
 H   -3.669900      -2.547600     -0.9873000    
 H   -5.494100       2.441800      0.5088000    
 H    8.174400       1.909200     -0.3785000    
 H    7.280200       2.478400      -1.802000    
 H    7.701900       3.612200     -0.5071000    
 H   -3.592900       3.170700       3.051500    


%chk=000087609-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087609

0 1
O -0.747585 0.094511 -1.295086
O -2.090116 2.612721 -0.748735
O -3.355842 -1.526535 -0.820139
O -4.805189 2.485147 -0.829482
O -5.419590 2.196700 1.743995
O -1.322862 -3.185736 -0.423513
N -0.351043 -1.945980 1.293626
C -1.746449 0.287414 -0.235170
C -2.749581 1.300472 -0.806272
C 2.655280 -1.166942 0.934336
C -2.399382 -1.072439 0.168350
C 3.883868 -0.862858 0.047008
C 2.011156 -2.536483 0.623421
C -4.119275 1.400891 -0.096671
C 4.544250 0.498084 0.362800
C 0.782652 -2.874639 1.500075
C 5.769819 0.801247 -0.528536
C -1.309790 -2.163440 0.331540
C -4.038778 1.803563 1.385906
C 6.441424 2.155018 -0.203128
C 7.663514 2.450767 -1.099293
H -1.277291 0.743714 0.667296
H -2.954429 1.007626 -1.854387
H 2.958187 -1.135125 2.002530
H 1.907802 -0.354781 0.799378
H -2.935229 -0.948489 1.132940
H 3.580239 -0.884802 -1.020198
H 4.632674 -1.672520 0.172706
H 1.710112 -2.586606 -0.441367
H 2.763947 -3.336682 0.772880
H -4.677618 0.454268 -0.214776
H 4.853211 0.516994 1.429233
H 3.795137 1.308265 0.240660
H 1.054312 -2.851516 2.572195
H 0.418959 -3.887395 1.254394
H 6.516328 -0.013113 -0.417319
H 5.459606 0.794954 -1.594296
H -0.408545 -1.102194 1.866897
H -3.338978 2.655451 1.501272
H -3.708386 0.952461 2.015444
H 6.751855 2.160709 0.861914
H 5.694851 2.967811 -0.313771
H 0.086795 -0.269924 -0.902141
H -2.764842 3.254588 -1.099735
H -2.948154 -2.329968 -1.257969
H -5.567382 2.766116 -0.254682
H 8.436300 1.666850 -0.986888
H 7.373299 2.483855 -2.166429
H 8.127248 3.421706 -0.845520
H -5.433189 2.638260 2.627708


