%chk=000127353.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127353

0 1
 O    4.180900       1.591100     -0.6646000    
 O    2.930900       4.409500     -0.5057000    
 O    6.668500       1.682200      0.6081000    
 O    2.356100      -4.398000      0.2454000    
 N    2.379400      8.7200001E-02 -0.3181000    
 N    1.108800      -1.740800     -3.3000000E-02
 N   4.7100000E-02  0.4111000     -0.2564000    
 N    4.545300      -1.018300     -0.2724000    
 N    4.436000      -3.397800      3.2200001E-02
 N    6.490300      -2.264400     -0.1988000    
 C    2.755400       1.483300     -0.5087000    
 C    2.370200       2.398600      0.6446000    
 C    3.385100       3.509900      0.5033000    
 C    4.632800       2.781800      1.4400000E-02
 C    5.548300       2.356400       1.154000    
 C    3.211500     -0.9753000     -0.2205000    
 C    1.151000     -0.4624000     -0.1953000    
 C    2.432000      -2.081400     -4.7499999E-02
 C   -1.343800      0.2002000     -0.1682000    
 C    3.036800      -3.391200      9.1399997E-02
 C    5.119600      -2.280800     -0.1380000    
 C   -2.222100       1.275100     -0.2634000    
 C   -3.611900       1.084600     -0.1775000    
 C   -4.152800     -0.2144000      9.2000002E-03
 C   -1.845400      -1.079000      1.4400000E-02
 C   -3.225300      -1.282300      0.1015000    
 C   -5.581200     -0.3751000      9.3000002E-02
 C   -6.414100      0.7694000     -1.2800000E-02
 C   -4.464400       2.187200     -0.2773000    
 C   -5.844300       2.031900     -0.1962000    
 C   -6.232100      -1.620600      0.2777000    
 C   -7.811900      0.6463000      6.4999998E-02
 C   -7.623300      -1.729100      0.3534000    
 C   -8.413400     -0.5951000      0.2470000    
 H    2.300700       1.808500      -1.452400    
 H    2.507900       1.887900       1.605400    
 H    1.338900       2.755200      0.5871000    
 H    3.543400       4.084300       1.420600    
 H    5.194700       3.371400     -0.7189000    
 H    5.901200       3.224600       1.718900    
 H    5.042300       1.662600       1.833300    
 H    2.112300       4.822200     -0.1812000    
 H   0.2456000       1.387000     -0.4586000    
 H    5.129800     -0.1994000     -0.4020000    
 H    7.234600       1.417000       1.352900    
 H   -1.823000       2.278900     -0.4061000    
 H   -1.215700      -1.956400      9.6100003E-02
 H   -3.561300      -2.306200      0.2447000    
 H   -4.063200       3.188900     -0.4206000    
 H   -6.471400       2.917800     -0.2790000    
 H    7.029600      -3.119100     -0.1143000    
 H    7.003800      -1.399400     -0.3280000    
 H   -5.664400      -2.543300      0.3676000    
 H   -8.449900       1.524600     -1.6200000E-02
 H   -8.083700      -2.702500      0.4956000    
 H   -9.494700     -0.6742000      0.3052000    


%chk=000127353-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127353

0 1
O 4.189143 1.853260 -0.765379
O 3.305765 4.671979 0.055763
O 6.499167 1.125028 0.587160
O 2.400714 -4.300208 0.349493
N 2.395939 0.288492 -0.615521
N 1.077843 -1.578553 -0.343123
N -0.018571 0.578588 -0.782238
N 4.626480 -0.851770 -0.356761
N 4.485235 -3.229132 0.088828
N 6.576759 -2.146823 -0.072553
C 2.735321 1.725925 -0.605762
C 2.385053 2.443479 0.728243
C 3.522608 3.480147 0.885758
C 4.742694 2.757183 0.282039
C 5.523441 1.945213 1.325595
C 3.245451 -0.801585 -0.380549
C 1.074829 -0.262987 -0.588845
C 2.437030 -1.932328 -0.199373
C -1.387419 0.287806 -0.539162
C 3.042902 -3.242514 0.101657
C 5.177878 -2.120507 -0.120284
C -2.335840 1.296804 -0.793963
C -3.722971 1.082746 -0.557246
C -4.177098 -0.187346 -0.043118
C -1.826888 -0.980006 -0.043158
C -3.188482 -1.189415 0.197354
C -5.605893 -0.395155 0.200322
C -6.530259 0.678662 -0.077508
C -4.685033 2.131104 -0.823251
C -6.032369 1.935804 -0.591734
C -6.138043 -1.622326 0.705226
C -7.927702 0.491639 0.155374
C -7.512886 -1.785497 0.926269
C -8.419726 -0.721869 0.650681
H 2.256861 2.216790 -1.476120
H 2.404608 1.712338 1.555915
H 1.387172 2.911223 0.711503
H 3.682806 3.760688 1.946797
H 5.406009 3.466775 -0.238073
H 6.042397 2.643978 2.012723
H 4.840174 1.296069 1.912567
H 2.527292 5.178420 0.400067
H 0.157833 1.454840 -1.275693
H 5.209437 0.001043 -0.385296
H 6.962198 0.508999 1.210891
H -2.015002 2.274071 -1.181730
H -1.090673 -1.770730 0.119664
H -3.488249 -2.171810 0.574324
H -4.321361 3.088370 -1.216336
H -6.754044 2.735651 -0.797106
H 6.968077 -3.077088 0.074802
H 7.113754 -1.491145 -0.641075
H -5.468328 -2.458888 0.926588
H -8.613665 1.319268 -0.062816
H -7.892219 -2.737855 1.313011
H -9.492651 -0.856644 0.825460


