%chk=000153190.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153190

0 1
 O    2.480700      0.2586000      0.6675000    
 O   -2.339000      -1.522400     -0.7969000    
 O    4.252600      -4.137000      0.5432000    
 O    3.029500      -5.971900     -8.2000000E-03
 N    1.679500       2.738900      0.7878000    
 N   -3.386900      0.8673000     -0.7512000    
 N    4.169000       3.514000     -0.3431000    
 N   -5.738100     -0.2728000      0.3665000    
 C   0.2351000      0.8271000      0.1686000    
 C   -1.024700      0.3619000     -0.2142000    
 C   0.4345000       2.193700      0.3986000    
 C   -2.085200       1.263200     -0.3666000    
 C    1.138500      -1.552100      8.7300003E-02
 C  -0.1215000      -2.017200     -0.2954000    
 C    1.362700     -0.1128000      0.3332000    
 C   -1.249000      -1.077400     -0.4599000    
 C  -0.6249000       3.088300      0.2453000    
 C   -1.882100       2.624100     -0.1364000    
 C    2.003800       4.120300      0.6240000    
 C   -4.542000       1.673100     -0.5135000    
 C    3.514500       4.302900      0.6932000    
 C   -5.794800      0.8114000     -0.6061000    
 C    2.198800      -2.453400      0.2401000    
 C  -0.3209000      -3.383900     -0.5253000    
 C    1.995600      -3.814400      1.0200000E-02
 C   0.7385000      -4.278600     -0.3717000    
 C    3.698200       3.913700      -1.670600    
 C    5.623800       3.655000     -0.2573000    
 C   -5.621400      0.2589000       1.725800    
 C   -6.921700      -1.127400      0.2562000    
 C    3.096900      -4.751200      0.1689000    
 H  -0.5244000       4.154300      0.4274000    
 H   -2.668200       3.363700     -0.2570000    
 H    2.419200       2.090700       1.029300    
 H   -3.515700     -9.2699997E-02  -1.046900    
 H    1.603500       4.546500     -0.3027000    
 H    1.557900       4.695000       1.445700    
 H   -4.504600       2.201600      0.4456000    
 H   -4.607800       2.446300      -1.289400    
 H    3.757500       5.369600      0.6020000    
 H    3.865600       3.975200       1.680700    
 H   -6.682000       1.440700     -0.4574000    
 H   -5.862200      0.3927000      -1.618900    
 H    3.173200      -2.076400      0.5383000    
 H   -1.290600      -3.773200     -0.8238000    
 H   0.5619000      -5.335400     -0.5552000    
 H    2.672100       3.584700      -1.861400    
 H    4.297300       3.424700      -2.448700    
 H    3.767400       4.995700      -1.831600    
 H    5.984600       3.328900      0.7246000    
 H    5.949300       4.689000     -0.4192000    
 H    6.117500       3.016600     -0.9985000    
 H   -4.631500      0.6828000       1.920200    
 H   -5.727900     -0.5495000       2.459700    
 H   -6.387400       1.010600       1.948800    
 H   -6.997200      -1.551700     -0.7513000    
 H   -7.847500     -0.5814000      0.4716000    
 H   -6.851200      -1.975000      0.9469000    
 H    4.988900      -4.776800      0.6470000    


%chk=000153190-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153190

0 1
O 2.643941 0.409280 0.054051
O -2.545418 -1.537412 0.030100
O 4.381313 -4.149833 0.016171
O 2.984990 -6.003004 -0.017644
N 1.783596 2.852011 0.157966
N -3.501678 0.867691 0.011862
N 4.452195 3.666627 -0.454627
N -6.066705 -0.343431 0.370557
C 0.271290 0.910643 0.084434
C -1.086386 0.401579 0.061967
C 0.511812 2.335229 0.126741
C -2.205912 1.317943 0.063439
C 1.149032 -1.469778 0.039372
C -0.184925 -1.968695 0.027533
C 1.414297 -0.007814 0.061233
C -1.343795 -1.040793 0.037137
C -0.629045 3.216145 0.143179
C -1.926422 2.730939 0.113372
C 2.107598 4.277570 0.196072
C -4.690632 1.718492 -0.009106
C 3.616523 4.456779 0.468865
C -5.913801 0.879800 -0.439881
C 2.238683 -2.374385 0.029870
C -0.412686 -3.371421 0.006572
C 2.003413 -3.765146 0.009847
C 0.667147 -4.264015 -0.002015
C 4.412838 4.134406 -1.852362
C 5.825959 3.454585 0.038958
C -6.503005 -0.094045 1.756991
C -6.855432 -1.396706 -0.296482
C 3.114146 -4.753428 0.000899
H -0.469542 4.297779 0.174857
H -2.757776 3.441449 0.135993
H 2.560346 2.159808 0.068193
H -3.627052 -0.169137 0.054233
H 1.821342 4.778343 -0.754723
H 1.551480 4.792342 1.006577
H -4.867595 2.184403 0.985007
H -4.573342 2.548588 -0.734907
H 3.847385 5.553568 0.437396
H 3.830539 4.104904 1.495502
H -6.819103 1.539912 -0.409075
H -5.768791 0.568964 -1.491336
H 3.255456 -1.974002 0.038089
H -1.449256 -3.720377 -0.001539
H 0.513996 -5.347745 -0.017663
H 3.376570 4.129035 -2.231968
H 4.999142 3.444785 -2.484156
H 4.827993 5.166353 -1.983882
H 5.794421 2.998101 1.043935
H 6.429705 4.395438 0.100280
H 6.353904 2.754743 -0.632561
H -5.799863 0.587196 2.266671
H -6.504742 -1.045678 2.316364
H -7.528629 0.350992 1.821226
H -6.416221 -1.621222 -1.284214
H -7.931393 -1.125331 -0.443622
H -6.816805 -2.320921 0.306735
H 5.072601 -4.865003 0.009316


