%chk=000104284.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104284

0 1
 O    2.934800       2.741400     -0.1775000    
 O   -3.568900      -2.424100      0.7475000    
 O   -4.001400       2.218700      0.5534000    
 O   -8.062800     -0.4001000      -1.683700    
 N    3.149300      0.4985000     -8.3700001E-02
 N   -3.844500     -0.1054000      0.6804000    
 N    3.504700      -1.701900     -4.6000001E-03
 C   0.3348000      0.2582000      0.2192000    
 C   -1.068400      0.1369000      0.3703000    
 C    1.139800     -0.9075000      0.1972000    
 C   0.8977000       1.549100      9.3500003E-02
 C   -1.630900      -1.141100      0.4946000    
 C   -1.854400       1.299200      0.3903000    
 C    2.586800     -0.7592000      4.0300000E-02
 C    2.372100       1.662600     -6.4599998E-02
 C    4.512800      0.3355000     -0.2158000    
 C   0.5557000      -2.169300      0.3229000    
 C   -3.094900      -1.294200      0.6532000    
 C   -3.321700       1.194300      0.5476000    
 C  -0.8240000      -2.286000      0.4709000    
 C   0.1062000       2.695500      0.1148000    
 C   -1.271300       2.568300      0.2635000    
 C   -5.291200     -0.2068000      0.8417000    
 C    4.700700      -1.045500     -0.1622000    
 C   -5.972600     -0.2723000     -0.5214000    
 C    5.580100       1.228300     -0.3731000    
 C    5.999100      -1.574200     -0.2677000    
 C    7.073600     -0.6928000     -0.4247000    
 C    6.865200      0.6848000     -0.4765000    
 C   -7.486800     -0.3568000     -0.3855000    
 C    8.459700      -1.235500     -0.5373000    
 C   -9.479500     -0.4988000      -1.623200    
 H    1.161600      -3.071700      0.3076000    
 H   -1.251400      -3.280700      0.5668000    
 H   0.5405000       3.686200      1.8100001E-02
 H   -1.876200       3.471200      0.2786000    
 H   -5.531900      -1.104600       1.422700    
 H   -5.660600      0.6560000       1.408000    
 H   -5.711400      0.6051000      -1.126700    
 H   -5.608100      -1.136500      -1.091600    
 H    5.433300       2.301500     -0.4144000    
 H    6.156100      -2.647900     -0.2250000    
 H    7.708500       1.361500     -0.5970000    
 H   -7.866000      0.5196000      0.1531000    
 H   -7.763700      -1.260600      0.1698000    
 H    8.458200      -2.239900     -0.9743000    
 H    9.078100     -0.6057000      -1.185900    
 H    8.924800      -1.285000      0.4523000    
 H   -9.778500      -1.419400      -1.112500    
 H   -9.866500     -0.5256000      -2.645400    
 H   -9.903200      0.3711000      -1.112000    


%chk=000104284-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104284

0 1
O 3.022492 2.858305 -0.126576
O -3.710715 -2.382267 0.772601
O -4.077215 2.275187 0.645663
O -8.123547 -0.465245 -1.731869
N 3.168486 0.525808 -0.066235
N -3.879666 -0.051999 0.719291
N 3.530598 -1.749923 -0.030485
C 0.371765 0.271359 0.244040
C -1.051421 0.161506 0.402187
C 1.166262 -0.927626 0.198780
C 0.966026 1.574369 0.135956
C -1.656084 -1.130601 0.512644
C -1.851036 1.346822 0.447536
C 2.600207 -0.784993 0.038238
C 2.440234 1.742063 -0.027678
C 4.566980 0.346379 -0.210856
C 0.548189 -2.189672 0.309051
C -3.127684 -1.262090 0.674164
C -3.330729 1.252492 0.606933
C -0.855657 -2.287276 0.464945
C 0.156355 2.724310 0.183141
C -1.248197 2.611693 0.337673
C -5.358247 -0.167275 0.853915
C 4.763389 -1.073812 -0.185920
C -6.046808 -0.265113 -0.525483
C 5.638780 1.245163 -0.354180
C 6.060383 -1.618086 -0.307746
C 7.155600 -0.736608 -0.454217
C 6.925197 0.676000 -0.474052
C -7.567154 -0.384062 -0.379124
C 8.571857 -1.267431 -0.593856
C -9.579451 -0.584353 -1.724547
H 1.175089 -3.085295 0.271403
H -1.348252 -3.260759 0.550983
H 0.639422 3.702660 0.096985
H -1.888967 3.498006 0.373751
H -5.559081 -1.072612 1.450511
H -5.704952 0.727984 1.396373
H -5.817239 0.633201 -1.126035
H -5.671373 -1.149139 -1.071056
H 5.477726 2.324545 -0.370361
H 6.201614 -2.703019 -0.287843
H 7.787501 1.344036 -0.587613
H -7.983479 0.502105 0.153732
H -7.838602 -1.295682 0.201973
H 8.601530 -2.367807 -0.524295
H 9.012619 -0.979422 -1.566796
H 9.232190 -0.861235 0.194931
H -9.911447 -1.504333 -1.196431
H -9.891296 -0.636972 -2.779499
H -10.058794 0.295110 -1.242648


