%chk=000127644.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127644

0 1
 O  -0.8288000       3.577600       2.249300    
 N  -0.7687000       1.053000      0.9845000    
 N   0.7730000       1.362700     -0.7898000    
 N    2.997400      -1.914800      0.1853000    
 N    2.642100     -8.8100001E-02  -1.207300    
 N   0.2241000       2.483700      -1.326900    
 N    2.066700       1.869200      -2.514100    
 C   -2.050600       1.159800      0.3308000    
 C   -2.804400     -0.1658000      0.3981000    
 C   -4.154800     -0.1155000     -0.3255000    
 C   0.3514000      0.6222000      0.3181000    
 C   -4.849500      -1.479300     -0.2929000    
 C  -0.7604000       1.184300       2.441600    
 C   -6.191000      -1.494800      -1.028600    
 C    1.064300     -0.4613000      0.6626000    
 C    2.269100     -0.8020000     -0.1710000    
 C  -0.1143000       2.500000       2.841200    
 C    1.899600       1.005500      -1.532600    
 C    4.172900      -2.311300     -0.5672000    
 C    2.771700      -2.582200       1.453900    
 C   -6.851600      -2.864400      -1.059500    
 C    5.406800      -1.632600     -4.1999999E-03
 C    1.698300      -3.642900       1.302300    
 C    1.036700       2.737000      -2.348200    
 H   -2.651600       1.949200      0.7997000    
 H   -1.956800       1.450100     -0.7207000    
 H   -2.189300     -0.9579000     -4.8200000E-02
 H   -2.966200     -0.4532000       1.444300    
 H   -4.002200      0.1911000      -1.367200    
 H   -4.797500      0.6383000      0.1446000    
 H   -5.008000      -1.782400      0.7495000    
 H   -4.188300      -2.230300     -0.7434000    
 H  -0.2432000      0.3496000       2.926900    
 H   -1.788600       1.170800       2.824900    
 H   0.7570000      -1.071500       1.498200    
 H   -6.873600     -0.7806000     -0.5528000    
 H   -6.043200      -1.153600      -2.060200    
 H  -0.1404000       2.620400       3.928700    
 H   0.9273000       2.550900       2.507200    
 H    4.068000      -2.082100      -1.634000    
 H    4.301400      -3.399400     -0.5119000    
 H    2.541800      -1.881500       2.264100    
 H    3.687700      -3.087200       1.786700    
 H   -6.212700      -3.594400      -1.566400    
 H   -7.047800      -3.225400     -4.4900000E-02
 H   -7.804800      -2.815300      -1.594900    
 H    5.321400     -0.5422000     -5.8200002E-02
 H    5.577200      -1.900900       1.043200    
 H    6.293200      -1.929500     -0.5739000    
 H   0.7456000      -3.240700      0.9477000    
 H    2.011500      -4.410000      0.5853000    
 H    1.519200      -4.137500       2.262400    
 H   0.8692000       3.585900      -2.993800    
 H  -0.3901000       4.398700       2.530000    


%chk=000127644-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127644

0 1
O -1.376793 1.859225 3.327497
N -0.858588 -0.002542 0.956963
N 0.321679 -0.182476 -1.158683
N 3.871519 -1.347212 0.619077
N 2.673822 -0.863981 -1.332016
N -0.732805 0.141148 -2.050753
N 1.226646 -0.346958 -3.238318
C -2.095760 0.645204 0.421529
C -3.191943 -0.365546 0.024239
C -4.480520 0.354181 -0.432617
C 0.287711 -0.271302 0.236520
C -5.611547 -0.621387 -0.827557
C -0.887666 -0.314020 2.399472
C -6.895759 0.095936 -1.302793
C 1.508666 -0.674739 0.830635
C 2.672736 -0.962088 0.034161
C -0.349392 0.804881 3.308737
C 1.511983 -0.490187 -1.907900
C 5.036942 -1.674651 -0.238771
C 4.053681 -1.422955 2.079206
C -8.024510 -0.882489 -1.692971
C 5.906787 -0.441283 -0.562847
C 3.594697 -2.767962 2.691811
C -0.100707 0.021872 -3.253520
H -2.456917 1.319523 1.218678
H -1.831906 1.250263 -0.457276
H -2.806613 -0.995412 -0.798869
H -3.425999 -1.035014 0.878552
H -4.241503 1.006348 -1.297971
H -4.841527 1.024039 0.376640
H -5.856433 -1.273273 0.037411
H -5.249718 -1.295095 -1.631869
H -0.336219 -1.251762 2.596053
H -1.939781 -0.493349 2.684119
H 1.560581 -0.759336 1.912798
H -7.252834 0.773573 -0.500087
H -6.649595 0.743666 -2.168802
H -0.191745 0.396141 4.330643
H 0.614560 1.191228 2.920314
H 4.656198 -2.106232 -1.178190
H 5.632475 -2.446405 0.286077
H 3.530464 -0.578646 2.568180
H 5.129446 -1.274290 2.286399
H -7.703515 -1.549681 -2.515207
H -8.309017 -1.521801 -0.835645
H -8.930344 -0.344589 -2.028593
H 5.315711 0.287284 -1.142422
H 6.277419 0.050323 0.356249
H 6.782176 -0.738500 -1.169694
H 2.520564 -2.944609 2.506589
H 4.154718 -3.609069 2.245768
H 3.769093 -2.778856 3.783997
H -0.647373 0.215328 -4.174209
H -1.017044 2.676939 3.752064


