%chk=000130203.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130203

0 1
 O   0.3732000      -1.192700     -0.4164000    
 O   0.5640000       1.095500      4.3600000E-02
 N    7.499400       1.382100     -7.4999998E-03
 N   -7.524200       2.363300      0.6331000    
 C    5.302000      0.3971000      0.4769000    
 C    2.524100     -0.2574000     -0.3178000    
 C    4.744400      0.8012000     -0.8945000    
 C    4.590200     -0.8539000       1.009100    
 C    3.229300      0.9885000     -0.8539000    
 C    3.074800     -0.6673000       1.048200    
 C    6.810300      0.1675000      0.3994000    
 C    1.053300      6.0000003E-04 -0.2008000    
 C   -1.013300      -1.048700     -0.3265000    
 C   -3.746600     -0.7624000     -0.1507000    
 C   -1.720700     -0.7375000      -1.466600    
 C   -1.619200      -1.222200      0.8980000    
 C   -5.226700     -0.6084000     -5.5399999E-02
 C   -3.105200     -0.5925000      -1.377600    
 C   -3.003700      -1.077300      0.9871000    
 C   -5.642900      0.8371000      0.2596000    
 C   -7.162400      0.9876000      0.3127000    
 H    5.107300       1.217600       1.182400    
 H    2.681700      -1.069200      -1.040600    
 H    4.991900      3.4499999E-02  -1.640200    
 H    5.196900       1.737800      -1.239900    
 H    4.950400      -1.088900       2.017800    
 H    4.830600      -1.718100      0.3767000    
 H    2.861600       1.224300      -1.860300    
 H    2.998900       1.861000     -0.2283000    
 H    2.821000      9.1300003E-02   1.800400    
 H    2.602000      -1.599500       1.380900    
 H    7.041900     -0.6324000     -0.3130000    
 H    7.192400     -0.1467000       1.377500    
 H    8.505700       1.221600      3.8999999E-03
 H    7.320400       2.123500      0.6685000    
 H   -5.692100     -0.9315000     -0.9957000    
 H   -5.621600      -1.283900      0.7147000    
 H   -1.221300     -0.6054000      -2.421300    
 H   -1.040800      -1.467300       1.783300    
 H   -5.231800       1.512300     -0.5026000    
 H   -5.205800       1.143400       1.219200    
 H   -3.672300     -0.3453000      -2.271000    
 H   -3.491300      -1.210600       1.949200    
 H   -7.579700      0.3219000       1.075700    
 H   -7.604200      0.7101000     -0.6506000    
 H   -7.164400       2.989400     -8.6099997E-02
 H   -8.538700       2.459200      0.6137000    


%chk=000130203-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130203

0 1
O 0.313202 -0.348453 0.068905
O 1.085816 1.827174 -0.408639
N 7.943350 -0.133616 -0.651478
N -8.387503 0.622529 1.451823
C 5.667968 0.319094 0.275665
C 2.671643 0.063231 0.266256
C 4.931149 -0.580969 -0.743254
C 4.838979 0.437983 1.577444
C 3.509779 -0.058484 -1.044721
C 3.409305 0.957424 1.301972
C 7.101465 -0.184318 0.562203
C 1.307512 0.647203 -0.059096
C -1.080834 -0.163132 -0.205656
C -3.881514 -0.118486 -0.678776
C -1.678851 1.016762 -0.706267
C -1.858075 -1.313258 0.059520
C -5.386888 -0.079532 -0.892131
C -3.073995 1.016460 -0.936135
C -3.246176 -1.284854 -0.175821
C -6.165842 0.248121 0.411637
C -7.690582 0.310278 0.188238
H 5.746171 1.339559 -0.165645
H 2.525897 -0.948968 0.687064
H 4.867535 -1.610666 -0.329932
H 5.528700 -0.646547 -1.670478
H 5.345162 1.116272 2.293296
H 4.784865 -0.558813 2.064861
H 2.995465 -0.732514 -1.756263
H 3.567769 0.940517 -1.520630
H 3.451750 1.990823 0.906114
H 2.829614 0.995438 2.244440
H 7.048548 -1.240214 0.895168
H 7.516481 0.402034 1.419833
H 8.809680 -0.676485 -0.593500
H 8.112127 0.817782 -0.994674
H -5.639082 0.678322 -1.660015
H -5.741223 -1.056044 -1.278723
H -1.075361 1.901755 -0.908440
H -1.361066 -2.210476 0.440836
H -5.808489 1.219528 0.811915
H -5.951895 -0.510694 1.187397
H -3.540519 1.927861 -1.330070
H -3.844350 -2.181065 0.028596
H -8.043668 -0.679697 -0.161659
H -7.900031 1.035167 -0.638930
H -8.109406 1.518204 1.865836
H -9.405784 0.517065 1.416212


