%chk=000103232.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103232

1 1
 O   -5.873300      -1.053500      0.5171000    
 N    2.040600     -0.9171000      0.2883000    
 N  -0.1182000       1.337500     -0.5728000    
 N   -1.292200       1.984800     -0.3244000    
 C    3.171500       1.142300      0.1495000    
 C    4.125200     -7.4000000E-03 -6.3000000E-03
 C    1.859900      0.3662000      0.3187000    
 C    3.406900      -1.198300      8.6900003E-02
 C    3.127500       2.016700      -1.104200    
 C    3.488500       1.966000       1.398800    
 C    5.494800     -1.9900000E-02 -0.2089000    
 C    4.021900      -2.434800     -1.8400000E-02
 C    1.072400      -2.012300      0.4301000    
 C   0.5623000       1.061800      0.4831000    
 C    6.134400      -1.257300     -0.3174000    
 C    5.403800      -2.454200     -0.2229000    
 C   -2.453800       1.214100     -0.1114000    
 C   -1.397200       3.396000     -0.6831000    
 C   -3.612900       1.819700      0.3738000    
 C   -2.444000     -0.1537000     -0.3852000    
 C   -4.762000       1.057700      0.5851000    
 C   -3.593200     -0.9157000     -0.1740000    
 C   -4.752100     -0.3100000      0.3112000    
 C   -6.063400      -2.189100     -0.3256000    
 C   -7.547400      -2.439400     -0.4884000    
 H    4.103500       2.471100      -1.309400    
 H    2.839800       1.437700      -1.989900    
 H    2.400000       2.829000     -0.9964000    
 H    3.477600       1.346300       2.303600    
 H    4.476500       2.435000       1.330100    
 H    2.749200       2.761800       1.543800    
 H    6.062500      0.9012000     -0.2820000    
 H    3.473200      -3.367500      4.9400002E-02
 H    1.401600      -2.680300       1.231300    
 H    1.001600      -2.545800     -0.5216000    
 H   9.6199997E-02  -1.602000      0.6968000    
 H   0.2713000       1.302700       1.519300    
 H    7.208700      -1.296400     -0.4767000    
 H    5.921800      -3.405600     -0.3110000    
 H   -2.056900       3.533600      -1.546500    
 H  -0.4137000       3.799700     -0.9505000    
 H   -1.766000       3.991300      0.1582000    
 H   -3.655200       2.878900      0.6089000    
 H   -1.567300     -0.6591000     -0.7790000    
 H   -5.661600       1.534100      0.9654000    
 H   -3.536100      -1.980800     -0.3778000    
 H   -5.645500      -2.028500      -1.327400    
 H   -5.588500      -3.062500      0.1347000    
 H   -7.730400      -3.311800      -1.121900    
 H   -8.019500      -2.605600      0.4856000    
 H   -8.038900      -1.568700     -0.9352000    


%chk=000103232-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103232

1 1
O -5.577905 0.391090 1.357460
N 2.870524 0.004964 -1.377518
N -0.013500 0.528323 -2.107479
N -1.316455 0.723014 -2.352691
C 2.261618 -0.092419 0.918883
C 3.767815 -0.269740 0.743733
C 1.795642 0.081727 -0.542969
C 4.084391 -0.202405 -0.632144
C 1.928667 1.180499 1.757217
C 1.606338 -1.353362 1.561496
C 4.790555 -0.469448 1.682754
C 5.395202 -0.323237 -1.125515
C 2.896131 0.105637 -2.849573
C 0.421273 0.282438 -0.850844
C 6.123827 -0.597273 1.214178
C 6.419943 -0.524204 -0.169662
C -2.381537 0.610271 -1.366468
C -1.676493 1.071443 -3.744651
C -3.138644 1.758930 -1.017648
C -2.692376 -0.647901 -0.798005
C -4.194521 1.646443 -0.101645
C -3.754769 -0.767618 0.120277
C -4.512925 0.384128 0.473386
C -6.005968 -0.890663 1.983492
C -7.195982 -0.565176 2.878224
H 2.333692 1.062740 2.777080
H 2.376105 2.085841 1.312765
H 0.837624 1.329835 1.839604
H 1.820961 -2.263964 0.976311
H 2.010136 -1.496124 2.578619
H 0.511462 -1.234935 1.645848
H 4.576935 -0.525876 2.755332
H 5.630049 -0.264122 -2.192108
H 3.413439 -0.775950 -3.265461
H 3.444905 1.016345 -3.148957
H 1.869191 0.159733 -3.229000
H -0.271562 0.258266 0.000624
H 6.936697 -0.753086 1.930240
H 7.456579 -0.623302 -0.506385
H -2.371546 0.318358 -4.153494
H -0.755971 1.104182 -4.344316
H -2.172146 2.057412 -3.776126
H -2.896490 2.734764 -1.451896
H -2.126372 -1.538839 -1.092555
H -4.791871 2.515969 0.186393
H -3.993810 -1.749727 0.536308
H -6.281128 -1.604969 1.182133
H -5.158482 -1.304366 2.566083
H -7.554773 -1.485441 3.372857
H -6.914411 0.161515 3.658368
H -8.026163 -0.141820 2.288848


