%chk=000037507.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037507

0 1
 O    2.708400       2.187600      0.3232000    
 O   -2.725200      -2.440700      0.2086000    
 O    7.090400      0.1594000     -1.8000000E-03
 O   -6.853400     -0.1070000     -0.7337000    
 O    5.871900      -1.244700      -1.373800    
 O   -6.030300       1.178600       1.000800    
 N    1.214800      0.4089000      0.1387000    
 N   -1.254900     -0.7888000      0.9220000    
 C   4.9699999E-02   1.262600      0.4539000    
 C  -0.9409000      0.5628000       1.395800    
 C   0.9192000     -0.9917000     -0.2141000    
 C  -7.5099997E-02  -1.631100      0.7489000    
 C  -0.6331000       1.734200     -0.8345000    
 C    2.468000       1.016000      2.6400000E-02
 C   -2.513500      -1.299300      0.6221000    
 C    3.584300      0.2013000     -0.4951000    
 C   -3.680700     -0.4147000      0.8082000    
 C    4.821200      0.4801000     -7.2999999E-02
 C   -4.742100     -0.5940000      1.6300000E-02
 C    5.956700     -0.3212000     -0.5798000    
 C   -5.924700      0.2788000      0.1825000    
 C    8.301800     -0.5035000     -0.3793000    
 C   -8.077500      0.6350000     -0.7184000    
 C    9.463800      0.1434000      0.3437000    
 C   -8.999000      8.8100001E-02  -1.787700    
 H   0.4068000       2.162900      0.9688000    
 H   -1.829500       1.182400       1.521300    
 H  -0.4875000      0.4465000       2.388200    
 H   0.5163000     -0.9851000      -1.233400    
 H    1.828000      -1.597600     -0.2197000    
 H   0.3816000      -1.752300       1.738800    
 H  -0.3489000      -2.628600      0.3912000    
 H   -1.035600      0.8963000      -1.413200    
 H   -1.459500       2.416000     -0.6081000    
 H   7.6899998E-02   2.266400      -1.476800    
 H    3.384500     -0.5767000      -1.220900    
 H   -3.674000      0.3294000       1.593200    
 H    5.032600       1.262900      0.6479000    
 H   -4.769600      -1.343400     -0.7678000    
 H    8.238700      -1.562700     -0.1058000    
 H    8.443900     -0.4153000      -1.462200    
 H   -7.866300       1.691700     -0.9166000    
 H   -8.551600      0.5370000      0.2646000    
 H    10.40800     -0.3400000      7.7600002E-02
 H    9.326900      7.9200000E-02   1.428200    
 H    9.528700       1.207600      9.3999997E-02
 H   -8.530900      0.1627000      -2.774800    
 H   -9.204900     -0.9731000      -1.613000    
 H   -9.946500      0.6338000      -1.804000    


%chk=000037507-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037507

0 1
O 2.756623 2.037329 0.719452
O -2.690508 -2.239579 -0.597074
O 7.358346 0.152401 0.299169
O -7.253900 -0.200087 -0.495946
O 6.156614 -1.527811 -0.797156
O -6.072051 1.447223 0.669621
N 1.298399 0.422662 -0.115483
N -1.271592 -0.712125 0.439926
C 0.145795 1.329098 0.165822
C -0.886264 0.575887 1.051643
C 0.937281 -0.897022 -0.679804
C -0.115499 -1.602408 0.208697
C -0.477312 1.881366 -1.135022
C 2.583365 0.892833 0.179086
C -2.533715 -1.119674 -0.004765
C 3.752972 0.027153 -0.166393
C -3.693547 -0.210781 0.247271
C 5.012921 0.403548 0.185926
C -4.935966 -0.542285 -0.198813
C 6.182471 -0.437530 -0.169029
C -6.094342 0.349701 0.053992
C 8.624194 -0.588786 0.009071
C -8.506210 0.597156 -0.316067
C 9.758623 0.215596 0.633907
C -9.623777 -0.175728 -1.007392
H 0.566209 2.164723 0.752366
H -1.762149 1.220764 1.206499
H -0.426994 0.376266 2.040252
H 0.521937 -0.770773 -1.698239
H 1.822766 -1.543269 -0.753321
H 0.338733 -1.865720 1.184573
H -0.485568 -2.517085 -0.281493
H -0.965359 1.091710 -1.733725
H -1.241899 2.641449 -0.892231
H 0.298087 2.364618 -1.753252
H 3.636190 -0.906417 -0.726776
H -3.580715 0.726782 0.801610
H 5.185485 1.334969 0.734186
H -5.102059 -1.472600 -0.750974
H 8.536010 -1.604865 0.435058
H 8.723288 -0.684994 -1.087622
H -8.344586 1.598499 -0.755317
H -8.681716 0.723237 0.767908
H 10.723329 -0.288860 0.443199
H 9.623566 0.306181 1.725121
H 9.806132 1.230370 0.203654
H -9.409990 -0.301013 -2.082458
H -9.748591 -1.175736 -0.558459
H -10.577123 0.373728 -0.903798


