%chk=000132073.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132073

0 1
 O  -0.6161000      0.7052000       2.915800    
 O   0.9772000      0.7292000      0.3907000    
 O    5.534100      8.1000002E-03 -0.8205000    
 O   0.3185000      -2.852500       1.244800    
 N  -0.8909000       3.308900      0.3022000    
 N  -0.5947000      -1.629500     -0.5373000    
 C   -1.947400       3.600000     -0.6725000    
 C   -1.262900       2.178600       1.136200    
 C  -0.1844000       1.847100       2.170200    
 C   -1.504800       4.788700      -1.532300    
 C   -2.154200       2.362600      -1.552500    
 C   -3.244700       3.941200      7.0200004E-02
 C    1.175000       1.535700       1.547800    
 C    1.986800     -0.1360000      6.3800000E-02
 C    1.761000      -1.511300      7.1999999E-03
 C    3.254700      0.3746000     -0.2142000    
 C    2.803200      -2.376000     -0.3274000    
 C    4.296800     -0.4901000     -0.5489000    
 C   0.4453000      -2.065400      0.2942000    
 C    4.071000      -1.865300     -0.6054000    
 C   -1.967700      -1.973500     -0.4837000    
 C   -2.428100      -2.855400      0.4940000    
 C   -2.859500      -1.431100      -1.409100    
 C    5.695100       1.423600     -0.7443000    
 C   -3.780000      -3.194700      0.5464000    
 C   -4.211400      -1.770400      -1.356600    
 C   -4.671700      -2.652200     -0.3788000    
 H  -0.7194000       4.126100      0.8876000    
 H   -2.172500       2.373000       1.715000    
 H   -1.459300       1.266600      0.5641000    
 H  -7.4000001E-02   2.665700       2.890200    
 H  -0.5706000       4.570500      -2.063300    
 H   -1.340400       5.684600     -0.9221000    
 H   -2.261800       5.037200      -2.285000    
 H   -2.713000       1.565900      -1.052500    
 H   -1.203100       1.953100      -1.913500    
 H   -2.742900       2.624200      -2.440800    
 H   -3.080800       4.696400      0.8481000    
 H   -3.979600       4.360900     -0.6284000    
 H   -3.730500       3.072500      0.5266000    
 H    1.667700       2.464800       1.240200    
 H    1.810300       1.020600       2.279900    
 H  -0.6673000     -4.8200000E-02   2.302700    
 H    3.374000       1.451700     -0.1686000    
 H    2.640700      -3.449700     -0.3769000    
 H    4.878800      -2.543700     -0.8660000    
 H  -0.3483000     -0.9792000      -1.281000    
 H   -1.800800      -3.315400       1.244000    
 H   -2.513000     -0.7473000      -2.179500    
 H    5.518400       1.795300      0.2708000    
 H    6.740200       1.643100     -0.9867000    
 H    5.079800       1.939600      -1.489300    
 H   -4.139800      -3.881200       1.307500    
 H   -4.905500      -1.348700      -2.077800    
 H   -5.724300      -2.916400     -0.3381000    


%chk=000132073-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132073

0 1
O -0.787568 1.087561 3.123586
O 0.788737 0.346410 0.875550
O 5.465218 0.222801 -0.717445
O 0.185178 -3.333630 -1.232595
N -1.097120 3.494524 0.231598
N -0.810913 -1.669188 0.088373
C -1.692239 3.607035 -1.145254
C -1.454881 2.322567 1.059609
C -0.351437 2.072092 2.118708
C -1.255021 4.988651 -1.690113
C -1.111116 2.493651 -2.051955
C -3.247306 3.519371 -1.126565
C 0.989537 1.680632 1.491679
C 1.845435 -0.256012 0.152757
C 1.574385 -1.484234 -0.522343
C 3.125801 0.345860 0.110001
C 2.655111 -2.078913 -1.231486
C 4.167146 -0.285130 -0.612169
C 0.266993 -2.238967 -0.586311
C 3.931298 -1.508472 -1.287022
C -2.137660 -2.162727 0.209467
C -2.602241 -3.337787 -0.443899
C -3.032301 -1.422295 1.034461
C 5.771819 1.483525 -0.035994
C -3.942171 -3.745549 -0.267304
C -4.366311 -1.844027 1.198994
C -4.833216 -3.009832 0.547239
H -1.252364 4.371411 0.751368
H -2.419627 2.420295 1.604807
H -1.538075 1.437530 0.405238
H -0.190946 3.003910 2.693717
H -0.153191 5.060545 -1.717840
H -1.641274 5.808601 -1.052807
H -1.644403 5.145859 -2.711421
H -1.429640 1.484466 -1.733549
H -0.007262 2.527795 -2.040717
H -1.457673 2.632089 -3.092024
H -3.680101 4.330013 -0.509443
H -3.659366 3.610919 -2.148511
H -3.588033 2.551952 -0.714116
H 1.256483 2.417727 0.711784
H 1.776759 1.602678 2.265384
H -0.569579 0.177656 2.794024
H 3.307179 1.286623 0.632054
H 2.434343 -3.020858 -1.743784
H 4.750005 -1.978301 -1.837843
H -0.597416 -0.777146 0.554214
H -1.910489 -3.906121 -1.067446
H -2.682585 -0.521771 1.556502
H 5.632882 1.392460 1.058844
H 6.830653 1.678568 -0.258905
H 5.150588 2.313007 -0.426261
H -4.290053 -4.652561 -0.774903
H -5.038842 -1.264382 1.841282
H -5.869927 -3.338781 0.675984


