%chk=000012949.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012949

0 1
 O   9.7000003E-03  -2.846100      0.3571000    
 O   -2.356400       1.035300     -0.6045000    
 O    2.351600       1.059200     -0.5623000    
 N   -1.203300     -0.9318000     -0.1321000    
 N    1.199000     -0.9179000     -0.1361000    
 C   -2.424800      -1.654100      0.1294000    
 C    2.438200      -1.625400      7.8599997E-02
 C   -3.190100      -1.020900       1.294300    
 C   -3.288200      -1.722700      -1.132600    
 C    3.270100      -1.663500      -1.206100    
 C    3.222900     -0.9952000       1.231800    
 C   -4.513100      -1.737200       1.553200    
 C   -4.611800      -2.436600     -0.8708000    
 C    4.610300      -2.360700     -0.9873000    
 C    4.564000      -1.692000       1.446800    
 C   -5.371200      -1.806100      0.2932000    
 C    5.389800      -1.732200      0.1642000    
 C   6.6000000E-03  -1.649600      4.3800000E-02
 C  -1.9999999E-04   1.098000     -0.8795000    
 C   -1.293100      0.4146000     -0.5183000    
 C    1.294100      0.4258000     -0.5022000    
 C  -8.8000000E-03   2.496300     -0.3419000    
 C  -0.5085000       3.533800      -1.123500    
 C   0.4822000       2.748600      0.9355000    
 C  -0.5168000       4.835700     -0.6231000    
 C   0.4737000       4.050600       1.435900    
 C  -2.5900001E-02   5.094100      0.6566000    
 H   -2.206900      -2.688500      0.4204000    
 H    2.241000      -2.666700      0.3603000    
 H   -3.418000      3.6499999E-02   1.135300    
 H   -2.575400      -1.061800       2.202500    
 H   -2.743100      -2.254000      -1.923100    
 H   -3.521200     -0.7348000      -1.540900    
 H    3.477800     -0.6682000      -1.609800    
 H    2.712600      -2.194000      -1.988500    
 H    2.632500      -1.063000       2.154700    
 H    3.435100      6.7299999E-02   1.094700    
 H   -5.063900      -1.221100       2.347700    
 H   -4.312800      -2.753700       1.913800    
 H   -4.418200      -3.493500     -0.6496000    
 H   -5.231600      -2.409600      -1.774200    
 H    5.206100      -2.313700      -1.906000    
 H    4.438200      -3.422900     -0.7740000    
 H    4.389900      -2.716000       1.799900    
 H    5.127100      -1.177000       2.233400    
 H   -6.279800      -2.383700      0.4969000    
 H   -5.690800     -0.7945000      1.4200000E-02
 H    6.312400      -2.297600      0.3371000    
 H    5.686100     -0.7123000     -0.1103000    
 H   1.8999999E-02   1.127700      -1.979100    
 H  -0.8951000       3.345900      -2.121500    
 H   0.8540000       1.952700       1.574900    
 H  -0.9064000       5.648200      -1.229400    
 H   0.8505000       4.251400       2.434600    
 H  -3.3900000E-02   6.107600       1.046900    


%chk=000012949-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012949

0 1
O 0.044837 -2.160750 0.999975
O -2.305031 0.806024 -1.740847
O 2.381284 0.887005 -1.676543
N -1.190572 -0.616770 -0.248365
N 1.256157 -0.634083 -0.296067
C -2.457902 -1.325206 0.172190
C 2.524643 -1.380288 0.051079
C -3.487719 -0.359822 0.803191
C -3.062917 -2.148791 -0.991614
C 3.153890 -2.054059 -1.193689
C 3.536070 -0.486561 0.807059
C -4.710565 -1.168872 1.304620
C -4.294136 -2.941309 -0.486819
C 4.390345 -2.884868 -0.769300
C 4.768999 -1.329969 1.218567
C -5.340413 -2.005256 0.163875
C 5.419225 -2.015447 -0.007555
C 0.036312 -1.177693 0.210459
C 0.025538 1.309119 -1.258044
C -1.252691 0.478241 -1.133210
C 1.317780 0.510768 -1.117648
C -0.029689 2.480071 -0.254843
C -0.398585 3.764367 -0.723582
C 0.244414 2.297832 1.124353
C -0.491470 4.852902 0.171734
C 0.153318 3.387450 2.017829
C -0.216103 4.668002 1.545783
H -2.123006 -2.031000 0.953370
H 2.187859 -2.175838 0.739654
H -3.818809 0.383159 0.056705
H -3.018132 0.189897 1.641586
H -2.299605 -2.843796 -1.391598
H -3.361798 -1.466543 -1.807735
H 3.454117 -1.280114 -1.922008
H 2.404275 -2.706864 -1.681439
H 3.052916 -0.054189 1.704966
H 3.857991 0.349776 0.161690
H -5.460479 -0.475587 1.731125
H -4.397689 -1.847507 2.125378
H -3.966364 -3.696364 0.257630
H -4.746945 -3.497934 -1.329401
H 4.856615 -3.336082 -1.665945
H 4.068139 -3.724316 -0.118655
H 4.462209 -2.105902 1.950424
H 5.504732 -0.680438 1.730199
H -6.190936 -2.597936 0.552498
H -5.748930 -1.320943 -0.607614
H 6.278076 -2.635416 0.314319
H 5.817907 -1.238291 -0.690886
H 0.025686 1.734519 -2.274781
H -0.616472 3.910458 -1.787310
H 0.539666 1.314870 1.508515
H -0.776579 5.841751 -0.203678
H 0.371932 3.237153 3.080890
H -0.286198 5.512139 2.240514


