%chk=000033839.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033839

0 1
 O   -4.382200     -0.7902000       1.010300    
 O  -0.9890000       2.300500     -0.6588000    
 N   -2.048800     -0.1198000     -0.4755000    
 C  -0.7845000     -0.4590000      -1.125300    
 C   -1.987400     -0.4029000      0.9652000    
 C   -3.163700     -0.8570000      -1.086300    
 C   0.3659000      0.3215000     -0.5628000    
 C   -3.321200     -5.3300001E-02   1.619200    
 C   -4.469500     -0.4956000     -0.3843000    
 C    1.585400     -0.3009000     -0.2504000    
 C   0.1923000       1.690600     -0.3577000    
 C    2.643900      0.4764000      0.2774000    
 C    1.777700      -1.677600     -0.4502000    
 C    1.233100       2.454900      0.1614000    
 C    2.451500       1.853100      0.4773000    
 C    3.863400     -0.1461000      0.5899000    
 C    2.996100      -2.279400     -0.1342000    
 C    4.036900      -1.515100      0.3848000    
 H  -0.8433000     -0.2157000      -2.195100    
 H  -0.6686000      -1.540900      -1.067500    
 H   -1.213900      0.1767000       1.478500    
 H   -1.773300      -1.467200       1.132000    
 H   -2.997100      -1.939200      -1.006200    
 H   -3.249900     -0.6041000      -2.149200    
 H   -3.297900     -0.3216000       2.680400    
 H   -3.535200       1.020400       1.553100    
 H   -4.722100      0.5632000     -0.5198000    
 H   -5.291800      -1.087700     -0.7986000    
 H    1.029800      -2.342300     -0.8642000    
 H    1.111700       3.522200      0.3264000    
 H    3.251300       2.469900      0.8819000    
 H    4.690800      0.4319000      0.9965000    
 H    3.134400      -3.344500     -0.2966000    
 H    4.985500      -1.984100      0.6297000    
 H  -0.9221000       3.247100     -0.4464000    


%chk=000033839-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033839

0 1
O -4.279874 -1.256124 1.107984
O -0.708520 2.590236 -1.451409
N -2.029443 -0.192442 -0.386632
C -0.885550 -0.180842 -1.340945
C -1.821404 -1.069470 0.790163
C -3.312442 -0.513945 -1.058199
C 0.338910 0.529034 -0.783217
C -3.002222 -0.923925 1.762893
C -4.473687 -0.378549 -0.059549
C 1.470184 -0.161137 -0.208715
C 0.377883 1.933865 -0.842609
C 2.598279 0.599333 0.305849
C 1.540990 -1.595918 -0.116978
C 1.480396 2.687853 -0.331207
C 2.567942 2.028232 0.234854
C 3.722138 -0.086011 0.874280
C 2.651350 -2.235633 0.437962
C 3.756357 -1.479030 0.941076
H -1.227640 0.375539 -2.231897
H -0.625371 -1.212874 -1.680896
H -0.886861 -0.777772 1.302079
H -1.729258 -2.146586 0.490480
H -3.313794 -1.553643 -1.477336
H -3.464493 0.193939 -1.895101
H -2.912220 -1.628203 2.606659
H -3.039143 0.118933 2.145228
H -4.549340 0.678210 0.276358
H -5.428365 -0.695642 -0.511699
H 0.711046 -2.202092 -0.491530
H 1.465623 3.784323 -0.391575
H 3.416082 2.600283 0.628127
H 4.560877 0.508546 1.256521
H 2.677623 -3.329854 0.491441
H 4.619793 -1.994809 1.374684
H -0.577647 3.570374 -1.432242


