%chk=000103113.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103113

1 1
 O   -2.048500       2.324500      0.9081000    
 O   -2.062500      -2.298500      0.9230000    
 O    3.295200       2.670500     -0.1180000    
 O    3.283900      -2.675400     -0.1012000    
 N   -6.975400     -1.2300000E-02 -0.9637000    
 N   -2.460200      1.3700000E-02  0.9983000    
 N   0.7478000       2.834100      0.3705000    
 N   0.7359000      -2.825300      0.3884000    
 C   -6.221100      3.9200000E-02  0.3125000    
 C   -4.728600      1.5400000E-02  9.1000004E-03
 C   -3.882500      1.7500000E-02   1.278100    
 C   -8.487800      4.8200000E-02 -0.7068000    
 C   -6.598100       1.168900      -1.868500    
 C   -6.673000      -1.311000      -1.724500    
 C  -0.3417000      0.7001000      0.5872000    
 C  -0.3445000     -0.6852000      0.5916000    
 C   -1.706500       1.158000      0.8471000    
 C   -1.711000      -1.135200      0.8540000    
 C   0.8088000       1.428300      0.3635000    
 C   0.8029000      -1.419800      0.3730000    
 C    1.991400      0.7067000      0.1384000    
 C    1.988600     -0.7046000      0.1433000    
 C    3.247200       1.446800     -0.1055000    
 C    3.241400      -1.451400     -9.4899997E-02
 C    4.494300      0.6922000     -0.3421000    
 C    4.491500     -0.7036000     -0.3368000    
 C    5.688000       1.387100     -0.5730000    
 C    5.682700      -1.404700     -0.5622000    
 C    6.872300      0.6846000     -0.7972000    
 C    6.869700     -0.7086000     -0.7918000    
 H   -6.517200     -0.8216000      0.9237000    
 H   -6.500600      0.9574000      0.8430000    
 H   -4.438000     -0.8712000     -0.5620000    
 H   -4.422600      0.8893000     -0.5751000    
 H   -4.114000      0.9080000       1.873900    
 H   -4.118500     -0.8678000       1.879800    
 H   -8.706900      0.9872000     -0.1901000    
 H   -9.011400      6.3999998E-03  -1.666300    
 H   -8.760100     -0.8077000     -8.2300000E-02
 H   -6.659300       2.089300      -1.280500    
 H   -5.597500       1.021100      -2.281800    
 H   -7.314600       1.203900      -2.695700    
 H   -6.785400      -2.151600      -1.033600    
 H   -7.394600      -1.399300      -2.543300    
 H   -5.667900      -1.273400      -2.150200    
 H    1.575100       3.390400      0.2087000    
 H  -0.1322000       3.303500      0.5375000    
 H    1.561300      -3.386100      0.2332000    
 H  -0.1457000      -3.289800      0.5607000    
 H    5.719700       2.473300     -0.5828000    
 H    5.710300      -2.491100     -0.5636000    
 H    7.797600       1.224700     -0.9761000    
 H    7.792900      -1.253500     -0.9665000    


%chk=000103113-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103113

1 1
O -2.323294 1.960060 0.204600
O -1.907207 -2.611853 1.321443
O 3.167127 2.632760 -0.735604
O 3.648578 -2.706308 0.543395
N -7.181592 0.237556 -0.955621
N -2.459865 -0.338003 0.831418
N 0.593622 2.576895 -0.353328
N 1.086787 -2.920073 0.966839
C -6.220795 -0.153767 0.202398
C -4.732006 -0.184855 -0.163942
C -3.886542 -0.391535 1.125669
C -8.616836 0.117395 -0.440392
C -6.933436 1.680433 -1.396635
C -7.000008 -0.699925 -2.147589
C -0.348099 0.450973 0.318918
C -0.225531 -0.911796 0.646982
C -1.765339 0.838383 0.424463
C -1.558666 -1.444639 0.977763
C 0.763860 1.258203 -0.045306
C 1.020181 -1.597324 0.640551
C 2.060928 0.590916 -0.061627
C 2.185849 -0.800328 0.272097
C 3.262327 1.384603 -0.429196
C 3.518153 -1.458257 0.251755
C 4.587470 0.722030 -0.439288
C 4.711391 -0.657200 -0.109571
C 5.741301 1.471709 -0.780397
C 5.988025 -1.273313 -0.124241
C 7.006524 0.853168 -0.792149
C 7.130050 -0.522148 -0.463484
H -6.563157 -1.143141 0.556229
H -6.408635 0.585291 1.002675
H -4.503096 -1.006149 -0.865424
H -4.402491 0.769471 -0.611036
H -4.133714 0.396016 1.863463
H -4.080660 -1.380331 1.580867
H -8.739521 0.770326 0.437135
H -9.314249 0.425150 -1.234407
H -8.811886 -0.928160 -0.157379
H -7.059683 2.347022 -0.529966
H -5.913049 1.775837 -1.792226
H -7.661457 1.941389 -2.180027
H -7.116408 -1.740567 -1.808152
H -7.764928 -0.464501 -2.903492
H -5.998853 -0.556805 -2.576912
H 1.439734 3.110785 -0.605063
H -0.345281 2.979626 -0.305701
H 2.018786 -3.361371 0.947570
H 0.228109 -3.412083 1.226248
H 5.619291 2.529840 -1.029496
H 6.056628 -2.334182 0.133612
H 7.896836 1.433609 -1.054694
H 8.115330 -0.999229 -0.473243


