%chk=000088573.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088573

0 1
 O    1.204700     -0.7700000      0.2572000    
 O    4.794700     -0.5045000      -1.764100    
 N    3.123700      0.4924000      0.2915000    
 N   0.9377000       1.465200      3.9600000E-02
 C    3.934100     -0.7269000      0.4674000    
 C    1.775000      0.4642000      0.1917000    
 C    3.898600       1.746200      0.2394000    
 C  -0.1271000     -0.5126000      0.1332000    
 C  -0.2792000      0.8417000      2.4000001E-03
 C  -0.9911000      -1.656900      0.1685000    
 C   -1.527900       1.533800     -0.1534000    
 C    4.148700      -1.406400     -0.8744000    
 C    4.046700       2.326800       1.632600    
 C   -2.293000      -1.543200      0.6677000    
 C  -0.5395000      -2.896900     -0.2963000    
 C   -2.225900       1.975800      0.9704000    
 C   -2.042700       1.763800      -1.429200    
 C   -3.133400      -2.656000      0.7016000    
 C   -1.379900      -4.009700     -0.2623000    
 C   -3.438500       2.648100      0.8184000    
 C   -3.255300       2.436100      -1.581100    
 C   -2.676900      -3.889300      0.2366000    
 C   -3.953400       2.878300     -0.4574000    
 H    3.451000      -1.415100       1.171100    
 H    4.905500     -0.4688000      0.9070000    
 H    4.892200       1.577900     -0.1904000    
 H    3.400400       2.471900     -0.4148000    
 H    3.202000      -1.708500      -1.332200    
 H    4.773100      -2.298600     -0.7651000    
 H    3.069900       2.547600       2.075900    
 H    4.566400       1.631800       2.300200    
 H    4.621200       3.257700       1.597200    
 H   -2.683000     -0.6179000       1.071700    
 H   0.4643000      -3.018700     -0.6971000    
 H   -1.837500       1.806500       1.972000    
 H   -1.510900       1.425700      -2.315600    
 H   -4.140900      -2.564600       1.097100    
 H   -1.025100      -4.969800     -0.6256000    
 H   -3.981900       2.992600       1.693400    
 H   -3.656300       2.615300      -2.574400    
 H   -3.330800      -4.756100      0.2643000    
 H   -4.897600       3.401800     -0.5757000    
 H    5.672100     -0.3080000      -1.393600    


%chk=000088573-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088573

0 1
O 1.155864 -0.918776 0.081742
O 5.572460 -0.297549 -1.407683
N 3.101420 0.432459 0.327835
N 0.853678 1.358195 0.215362
C 3.919855 -0.786959 0.424901
C 1.740316 0.360078 0.221899
C 3.730723 1.773380 0.418602
C -0.266944 -0.655566 -0.004162
C -0.415362 0.734061 0.045741
C -1.113429 -1.846241 -0.020614
C -1.609384 1.589470 -0.096943
C 4.545446 -1.231275 -0.915189
C 3.861223 2.272158 1.873281
C -2.442419 -1.822411 0.495280
C -0.602022 -3.081078 -0.517978
C -1.596946 2.886867 0.485846
C -2.749720 1.189818 -0.847257
C -3.235952 -2.986943 0.487564
C -1.398989 -4.244051 -0.516385
C -2.707129 3.746410 0.351885
C -3.857045 2.053168 -0.983159
C -2.723193 -4.204913 -0.020215
C -3.845920 3.332816 -0.378695
H 3.285961 -1.608110 0.805100
H 4.721943 -0.613698 1.170872
H 4.713534 1.707650 -0.078917
H 3.103808 2.473064 -0.159775
H 3.776582 -1.247250 -1.703376
H 4.963448 -2.255169 -0.801342
H 2.864003 2.370031 2.335553
H 4.467126 1.581340 2.488855
H 4.350950 3.263157 1.892606
H -2.842461 -0.897171 0.921301
H 0.421213 -3.116011 -0.905268
H -0.702306 3.204225 1.030322
H -2.759894 0.214691 -1.345205
H -4.253509 -2.947312 0.892499
H -0.987691 -5.182100 -0.906343
H -2.682978 4.740702 0.812202
H -4.724265 1.732039 -1.571302
H -3.342613 -5.108493 -0.021835
H -4.707617 4.001248 -0.485718
H 6.372433 -0.363253 -0.826488


