%chk=000001308.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001308

0 1
 O   -3.708900      -3.178700      0.1169000    
 O   -4.545200      -1.658500       1.636300    
 N   -3.251400       4.523100      0.1857000    
 N   -2.098700       3.338700       1.837900    
 N    6.942600       1.392400      0.7321000    
 N    7.358300     -0.8429000      0.1923000    
 C   -1.397300      -1.421600      4.9800001E-02
 C   0.1153000      -1.237000      0.3372000    
 C   0.9505000     -0.7739000     -0.8681000    
 C   -2.144300      -1.902800       1.312500    
 C   -2.050400     -0.1525000     -0.4784000    
 C    2.406800     -0.5331000     -0.5568000    
 C   -2.048600      0.9782000      0.3126000    
 C   -2.625600     -0.1710000      -1.732700    
 C   -3.609100      -2.196600       1.061000    
 C   -2.648100       2.140900     -0.1716000    
 C    2.814900      0.7263000     -0.1452000    
 C    3.312100      -1.575100     -0.6866000    
 C   -3.225100      0.9917000      -2.217100    
 C   -3.236300       2.147600      -1.436400    
 C    4.161300      0.9493000      0.1438000    
 C    4.658400      -1.352200     -0.3976000    
 C    5.082900     -8.9900002E-02  1.7600000E-02
 C   -2.660200       3.346300      0.6420000    
 C    6.487100      0.1425000      0.3169000    
 C   -5.041100      -3.591200     -0.2042000    
 H   -1.478600      -2.205400     -0.7158000    
 H   0.5204000      -2.191900      0.6988000    
 H   0.2549000     -0.5266000       1.162700    
 H   0.8695000      -1.518000      -1.671500    
 H   0.5350000      0.1498000      -1.289400    
 H   -2.083500      -1.167800       2.123900    
 H   -1.686800      -2.821600       1.700000    
 H   -1.584400      0.9603000       1.293700    
 H   -2.623400      -1.065000      -2.348600    
 H    2.103400       1.540800     -4.1600000E-02
 H    2.990100      -2.561800      -1.007100    
 H   -3.683100      0.9960000      -3.201900    
 H   -3.715300       3.022900      -1.860800    
 H    4.437200       1.948400      0.4626000    
 H    5.349700      -2.183600     -0.5060000    
 H   -5.609000      -2.750200     -0.6133000    
 H   -5.536100      -3.998000      0.6827000    
 H   -4.980300      -4.375600     -0.9632000    
 H   -3.702400       4.615900     -0.7158000    
 H   -3.248300       5.354400      0.7676000    
 H   -2.207400       4.271700       2.250800    
 H    6.344100       2.200000      0.8527000    
 H    7.926500       1.535400      0.9349000    
 H    8.286700     -0.4859000      0.4444000    


%chk=000001308-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001308

0 1
O -3.899343 -3.258615 -0.007457
O -4.561598 -2.055129 1.871095
N -2.527418 4.543515 0.255613
N -0.415047 3.432529 0.677573
N 6.400387 1.641082 1.438678
N 7.313810 -0.081792 0.005473
C -1.478341 -1.606318 -0.051005
C 0.051109 -1.505262 0.200567
C 0.864243 -1.038428 -1.040214
C -2.167406 -2.144317 1.244970
C -2.101446 -0.276184 -0.489765
C 2.274368 -0.604351 -0.669527
C -1.670631 0.951415 0.062058
C -3.132837 -0.250103 -1.464789
C -3.650607 -2.440481 1.105515
C -2.223172 2.185873 -0.351471
C 2.501133 0.687347 -0.123943
C 3.386327 -1.471470 -0.829635
C -3.704853 0.973842 -1.876448
C -3.251635 2.194142 -1.328716
C 3.798061 1.087972 0.261132
C 4.681953 -1.073964 -0.444986
C 4.904688 0.209243 0.115444
C -1.661015 3.446338 0.237818
C 6.298490 0.586548 0.521870
C -5.317579 -3.638843 -0.213150
H -1.658658 -2.349611 -0.851482
H 0.428464 -2.492679 0.533924
H 0.246455 -0.808511 1.038656
H 0.893408 -1.858083 -1.783862
H 0.335091 -0.190419 -1.512941
H -2.055344 -1.419449 2.069528
H -1.661878 -3.083455 1.545694
H -0.870112 0.994722 0.806801
H -3.475790 -1.192910 -1.907596
H 1.664733 1.391174 -0.014458
H 3.231917 -2.467959 -1.262400
H -4.488575 0.978806 -2.642228
H -3.659629 3.139581 -1.705190
H 3.940509 2.110995 0.630510
H 5.548538 -1.729613 -0.574208
H -5.938190 -2.738221 -0.356994
H -5.693531 -4.197333 0.660613
H -5.313056 -4.268749 -1.113890
H -3.520566 4.431200 0.063626
H -2.205713 5.448891 0.591609
H -0.116287 4.336750 1.098913
H 5.581707 2.007123 1.918747
H 7.315339 1.980077 1.727457
H 8.238327 0.227282 0.372172


