%chk=000162836.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162836

0 1
 O  -0.6563000      1.3800000E-02  0.4198000    
 O    1.410700      0.9016000       2.196600    
 O   -2.260500      -2.440500       1.544700    
 N    3.606800      0.5056000      0.3697000    
 C    4.447000     -0.3311000     -0.4687000    
 C    2.208700      0.4200000     -3.5900000E-02
 C    1.321400       1.312400      0.8322000    
 C  -0.1269000       1.245600      0.4065000    
 C    3.986700      -1.785200     -0.3338000    
 C    4.306400      0.1380000      -1.918700    
 C    5.899700     -0.1942000     -4.1999999E-03
 C   -1.945700      0.1723000      8.2000000E-03
 C   -2.204300       1.512800     -0.2583000    
 C  -0.9919000       2.200800      1.1300000E-02
 C   -2.885100     -0.8477000     -0.1321000    
 C   -2.586800      -2.277600      0.1589000    
 C   -3.489900       1.874400     -0.6976000    
 C   -4.156600     -0.4656000     -0.5700000    
 C   -4.456100      0.8703000     -0.8487000    
 C   -1.427400      -2.825900     -0.6800000    
 H    2.053100      0.7412000      -1.070200    
 H    1.833400     -0.6029000      6.9300003E-02
 H    1.670700       2.351000      0.7743000    
 H    3.695200      0.2339000       1.348700    
 H    3.047400      -2.000300     -0.8542000    
 H    4.731000      -2.457700     -0.7788000    
 H    3.880200      -2.085400      0.7156000    
 H    4.418100       1.225400      -2.008900    
 H    3.362200     -0.1568000      -2.388700    
 H    5.094700     -0.3104000      -2.536700    
 H    6.020000     -0.5164000       1.036900    
 H    6.571000     -0.8061000     -0.6176000    
 H    6.244600      0.8442000     -7.3899999E-02
 H  -0.8024000       3.260700     -8.0899999E-02
 H   -3.473200      -2.894300     -3.1300001E-02
 H   -3.737300       2.908500     -0.9178000    
 H   -4.938000      -1.211000     -0.7013000    
 H   0.8999000       1.535600       2.728800    
 H   -5.453900       1.136900      -1.187900    
 H  -0.4693000      -2.370200     -0.4097000    
 H   -1.599900      -2.672300      -1.750200    
 H   -1.312000      -3.900700     -0.4999000    
 H   -2.094100      -3.386500       1.696700    


%chk=000162836-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162836

0 1
O -0.788585 -0.135091 0.395276
O 1.523765 0.741758 2.148963
O -2.158058 -2.493033 1.544809
N 3.596334 0.432073 0.286210
C 4.659010 -0.316751 -0.455289
C 2.190043 0.219453 -0.093948
C 1.309036 1.168470 0.740474
C -0.139307 1.138311 0.365787
C 4.467088 -1.863072 -0.388482
C 4.677724 0.146130 -1.934101
C 6.000948 0.065152 0.216151
C -2.130251 0.104725 0.012076
C -2.316621 1.488151 -0.259986
C -1.028219 2.122333 -0.023738
C -3.132516 -0.879182 -0.068139
C -2.844819 -2.344059 0.246784
C -3.602963 1.933403 -0.659994
C -4.403788 -0.399368 -0.460100
C -4.633219 0.975400 -0.755610
C -2.050904 -3.037996 -0.883145
H 2.051779 0.466649 -1.162137
H 1.814621 -0.818546 0.066408
H 1.678966 2.204802 0.600479
H 3.698140 0.316712 1.305118
H 3.516430 -2.170992 -0.861866
H 5.287616 -2.385966 -0.914355
H 4.455750 -2.209350 0.662256
H 4.768487 1.245682 -1.984099
H 3.759451 -0.153202 -2.472662
H 5.534547 -0.305815 -2.466265
H 6.011953 -0.242838 1.280029
H 6.848355 -0.432288 -0.288784
H 6.151451 1.158188 0.172631
H -0.789925 3.179287 -0.131550
H -3.803274 -2.869591 0.399713
H -3.793710 2.988225 -0.882068
H -5.236174 -1.109457 -0.532431
H 0.971679 1.306798 2.746877
H -5.638126 1.291362 -1.056104
H -1.085059 -2.528731 -1.055525
H -2.618677 -3.027491 -1.831473
H -1.851063 -4.086343 -0.601199
H -1.286618 -2.017700 1.495212


