%chk=000103228.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103228

0 1
 O    2.900300       1.476300      0.6030000    
 O   -2.609900       1.817300     -0.4421000    
 O    4.963900       2.399300      0.1684000    
 O   -4.646700       2.593900      0.2978000    
 O  -0.9542000      -3.647500       1.285400    
 O   -1.332700      -1.974800       2.655800    
 N   0.1557000       2.123900      0.1951000    
 N  -0.9267000      -2.422500       1.556100    
 C   0.9144000       2.644200       1.308800    
 C  -0.5696000       3.066200     -0.6580000    
 C   0.1159000      0.7510000     -8.3499998E-02
 C    2.379200       2.770000      0.9262000    
 C   -2.035300       3.105200     -0.2603000    
 C  -0.3809000     -0.1488000      0.8661000    
 C   0.5727000      0.2670000      -1.314400    
 C  -0.4205000      -1.515100      0.5884000    
 C   0.5333000      -1.099300      -1.592300    
 C   3.6499999E-02  -1.990300     -0.6408000    
 C    4.216600       1.414000      0.2348000    
 C   -3.928500       1.700600     -0.1237000    
 C    4.623500      5.1199999E-02 -6.8300001E-02
 C   -4.404900      0.3136000     -0.3556000    
 C    5.626700     -0.1846000      -1.008400    
 C   -5.424500     -0.1817000      0.4312000    
 C    4.010300      -1.020100      0.5810000    
 C   -3.812900     -0.4371000      -1.350500    
 C    6.016600      -1.492000      -1.299200    
 C   -5.871800      -1.485000      0.2134000    
 C    4.400200      -2.327400      0.2903000    
 C   -4.260200      -1.740200      -1.568300    
 C    5.403400      -2.563300     -0.6499000    
 C   -5.289700      -2.264100     -0.7864000    
 H   0.8172000       1.990200       2.183300    
 H   0.5327000       3.625900       1.613500    
 H  -0.4775000       2.781000      -1.712400    
 H  -0.1403000       4.071100     -0.5686000    
 H    2.944300       3.184600       1.768700    
 H    2.493200       3.430000      5.7999998E-02
 H   -2.563600       3.831800     -0.8883000    
 H   -2.135000       3.402800      0.7905000    
 H  -0.7453000      0.2401000       1.814600    
 H   0.9758000      0.9433000      -2.064100    
 H   0.8929000      -1.469500      -2.547900    
 H   2.1700000E-02  -3.047800     -0.8918000    
 H    6.112600      0.6386000      -1.525700    
 H   -5.883000      0.4139000       1.214900    
 H    3.233600     -0.8669000       1.325700    
 H   -3.018800     -4.8799999E-02  -1.981000    
 H    6.797100      -1.675900      -2.031600    
 H   -6.672600      -1.893500      0.8230000    
 H    3.923900      -3.161700      0.7970000    
 H   -3.808000      -2.346400      -2.347800    
 H    5.707000      -3.581300     -0.8761000    
 H   -5.637700      -3.278900     -0.9560000    


%chk=000103228-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103228

0 1
O 3.044495 1.167221 0.887513
O -2.950984 1.789919 -0.446722
O 4.564530 2.756410 0.116532
O -4.592316 3.405952 -0.089714
O 1.496743 -4.652948 0.209897
O 2.463070 -2.978728 1.409947
N 0.016234 1.244757 0.049990
N 1.602262 -3.410857 0.543553
C 0.679318 1.686441 1.290159
C -0.579009 2.312638 -0.771702
C -0.053277 -0.108875 -0.322189
C 2.088032 2.275289 1.123567
C -1.931858 2.856804 -0.291684
C 0.799414 -1.079014 0.281363
C -0.977002 -0.566978 -1.317212
C 0.693775 -2.429424 -0.100379
C -1.033585 -1.924834 -1.690465
C -0.206284 -2.892044 -1.084809
C 4.304973 1.557278 0.387584
C -4.286848 2.204071 -0.286053
C 5.241756 0.412647 0.233144
C -5.245283 1.069136 -0.381893
C 6.521261 0.681293 -0.323764
C -6.631964 1.374747 -0.387473
C 4.902889 -0.908742 0.625057
C -4.816210 -0.282608 -0.449649
C 7.450637 -0.364382 -0.490566
C -7.582134 0.337177 -0.468859
C 5.837717 -1.951853 0.455785
C -5.772328 -1.317142 -0.525858
C 7.110220 -1.683253 -0.101701
C -7.154074 -1.010531 -0.538604
H 0.703270 0.857844 2.017925
H 0.058005 2.481593 1.751483
H -0.664624 1.974577 -1.817876
H 0.118472 3.175499 -0.784246
H 2.392480 2.803462 2.047621
H 2.149733 2.993098 0.285681
H -2.232246 3.736140 -0.891305
H -1.906086 3.162697 0.771037
H 1.570347 -0.795143 0.998391
H -1.680441 0.134152 -1.772033
H -1.752266 -2.232010 -2.457927
H -0.241187 -3.950600 -1.348652
H 6.762270 1.708961 -0.615228
H -6.938943 2.424085 -0.326247
H 3.924719 -1.125637 1.059858
H -3.747164 -0.511919 -0.427807
H 8.436114 -0.155971 -0.920851
H -8.651251 0.574408 -0.475804
H 5.566810 -2.968202 0.759612
H -5.442292 -2.360577 -0.570422
H 7.833575 -2.496185 -0.231735
H -7.893067 -1.817338 -0.598268


