%chk=000072323.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072323

1 1
 O    4.273800       1.444200     -0.2238000    
 O   -4.982500      -2.013400     -0.5040000    
 O   -6.235200      0.4102000      1.3900000E-02
 O    5.732200     -0.8476000      0.1776000    
 N   8.4700003E-02   1.295300     -0.2475000    
 C  -0.6518000       2.559000     -0.5053000    
 C   -1.882600       2.626200      0.3785000    
 C  -0.5774000      0.1141000     -7.5499997E-02
 C   -2.051800      0.1712000     -8.6700000E-02
 C   -2.711500       1.395500      0.1460000    
 C    1.436900       1.345000     -0.2431000    
 C   0.1689000      -1.058200      0.1335000    
 C    2.214600      0.2055000     -4.4799998E-02
 C    1.567100      -1.024100      0.1498000    
 C   -2.852100     -0.9635000     -0.3111000    
 C   -4.111000       1.466400      0.1918000    
 C    3.618200      0.2598000     -3.5399999E-02
 C   -4.248000     -0.8873000     -0.2816000    
 C   -4.876900      0.3255000     -2.4599999E-02
 C    2.337000      -2.181900      0.3555000    
 C    4.370800     -0.8967000      0.1681000    
 C    3.730600      -2.116800      0.3641000    
 C    4.566000       2.210400      0.9406000    
 C   -5.316100      -2.804300      0.6347000    
 C    6.396100      -1.034200      -1.070800    
 H  -0.9005000       2.554500      -1.573500    
 H   4.1000000E-03   3.410000     -0.2955000    
 H   -2.450300       3.532100      0.1390000    
 H   -1.600400       2.669800       1.437000    
 H    1.869800       2.324300     -0.4143000    
 H  -0.3350000      -2.007600      0.3005000    
 H   -2.398900      -1.929800     -0.5215000    
 H   -4.595400       2.419500      0.3912000    
 H    1.855800      -3.145400      0.5097000    
 H    4.308800      -3.022800      0.5245000    
 H   -6.490700       1.329000      0.2051000    
 H    3.654900       2.437800       1.502900    
 H    5.023700       3.151800      0.6247000    
 H    5.275200       1.676900       1.581300    
 H   -5.907300      -3.659800      0.2965000    
 H   -5.913900      -2.225000       1.345300    
 H   -4.409300      -3.176500       1.121900    
 H    6.176200      -2.026600      -1.477100    
 H    7.473400     -0.9570000     -0.9007000    
 H    6.098400     -0.2608000      -1.785700    


%chk=000072323-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072323

1 1
O 4.256506 1.547538 -0.249215
O -4.796515 -2.363156 -0.175733
O -6.293298 0.130776 0.188249
O 5.861909 -0.922755 0.137286
N 0.109069 1.266150 -0.198382
C -0.687368 2.496523 -0.535820
C -1.922829 2.598974 0.368546
C -0.585118 0.060927 0.056278
C -2.056945 0.091303 0.062586
C -2.743983 1.329088 0.237364
C 1.468980 1.333541 -0.206291
C 0.187133 -1.082252 0.311694
C 2.272091 0.199326 0.029797
C 1.609621 -1.064067 0.303945
C -2.809654 -1.105703 -0.050078
C -4.147788 1.330423 0.295686
C 3.709659 0.289651 0.012305
C -4.218768 -1.116138 0.007624
C -4.897688 0.135936 0.177929
C 2.411830 -2.215110 0.577528
C 4.465726 -0.888237 0.196852
C 3.802305 -2.117247 0.518859
C 5.284588 2.051642 0.711074
C -6.178193 -2.669677 0.269440
C 6.479792 -0.531961 -1.162480
H -0.994709 2.411592 -1.594847
H -0.022730 3.367986 -0.425284
H -2.507758 3.484664 0.065563
H -1.608809 2.762654 1.418738
H 1.928057 2.301790 -0.416797
H -0.327695 -2.015639 0.549795
H -2.333093 -2.075477 -0.218010
H -4.680064 2.282337 0.423481
H 1.933099 -3.170414 0.812540
H 4.440460 -2.988515 0.697528
H -6.665650 1.041127 0.299433
H 4.795435 2.289412 1.672026
H 5.682956 2.964040 0.246217
H 6.081739 1.307027 0.867979
H -6.253408 -3.761096 0.158422
H -6.918116 -2.160104 -0.364922
H -6.322815 -2.379822 1.324090
H 6.203316 -1.269862 -1.935861
H 7.563022 -0.561971 -0.980868
H 6.164300 0.479479 -1.473064


