%chk=000132309.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132309

0 1
 O    2.467800      0.7189000      0.9235000    
 O   -2.721700       3.244800     -0.1319000    
 O    2.524800      0.6841000      -1.377500    
 N    6.563500      0.7627000     -0.1469000    
 C   -2.271500     -0.2417000     -4.0500000E-02
 C   -1.723700       1.058800     -0.1159000    
 C   -1.393200      -1.347800     -5.5599999E-02
 C   -3.729400     -0.1027000      4.0600002E-02
 C   6.6000000E-03  -1.076800     -0.1468000    
 C   -4.067500       1.264800      1.4800000E-02
 C   0.4868000      0.2491000     -0.2190000    
 C   -2.822500       2.038400     -8.4200002E-02
 C  -0.3772000       1.335800     -0.2042000    
 C   -1.784600      -2.704700      1.2000000E-02
 C   -4.766400      -1.017600      0.1321000    
 C   0.9278000      -2.136300     -0.1662000    
 C   -5.360200       1.753600      7.4600004E-02
 C    1.910500      0.5674000     -0.3138000    
 C    4.661100     -0.2613000       1.005300    
 C    6.162600      5.7999999E-03   1.032800    
 C  -0.8501000      -3.743700     -8.8999998E-03
 C   -6.090700     -0.5535000      0.1943000    
 C    3.863600       1.035200      0.9627000    
 C   0.5042000      -3.460200     -9.7800002E-02
 C   -6.384700      0.8183000      0.1661000    
 C    6.278200      5.2999998E-03  -1.367000    
 C    7.985900       1.103500     -8.2400002E-02
 H  -1.4900000E-02   2.356600     -0.2596000    
 H   -2.824600      -2.994000      8.2500003E-02
 H   -4.607600      -2.086500      0.1585000    
 H    1.999400      -1.964600     -0.2362000    
 H   -5.573500       2.815700      5.1800001E-02
 H    4.369100     -0.9355000      0.1930000    
 H    4.385500     -0.8066000       1.918000    
 H    6.702700     -0.9470000       1.104100    
 H    6.397700      0.5765000       1.940300    
 H    4.132300       1.684600      0.1226000    
 H    4.035300       1.613000       1.877600    
 H   -1.187000      -4.775000      4.4599999E-02
 H   -6.904300      -1.271300      0.2660000    
 H    1.231000      -4.266800     -0.1142000    
 H   -7.418500       1.148300      0.2158000    
 H    5.206100     -7.5300001E-02  -1.565200    
 H    6.714200      -1.000200      -1.345300    
 H    6.688700      0.5261000      -2.240800    
 H    8.274700       1.717500     -0.9426000    
 H    8.624000      0.2125000     -6.3299999E-02
 H    8.198400       1.699900      0.8119000    


%chk=000132309-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000132309

0 1
O 2.452128 1.191150 -0.145534
O -2.238213 3.009112 1.041719
O 2.893419 -1.038463 -0.619917
N 6.785423 0.689034 -0.101523
C -2.294025 -0.438551 -0.010005
C -1.576422 0.748034 0.274628
C -1.577616 -1.601568 -0.445018
C -3.751403 -0.168275 0.232837
C -0.118385 -1.523779 -0.571653
C -3.882292 1.191561 0.662648
C 0.567246 -0.276173 -0.265641
C -2.522863 1.825553 0.708583
C -0.178821 0.842754 0.151406
C -2.233889 -2.839521 -0.762962
C -4.918435 -0.952404 0.123031
C 0.582454 -2.699237 -1.008441
C -5.118048 1.770701 0.975559
C 2.054648 -0.130136 -0.368225
C 4.604822 1.091671 1.113327
C 6.126904 1.347522 1.052904
C -1.516559 -3.957348 -1.184642
C -6.177138 -0.371670 0.438688
C 3.921016 1.460425 -0.210485
C -0.096817 -3.882443 -1.306781
C -6.285409 0.972669 0.860281
C 6.660225 -0.785306 -0.088745
C 8.188535 1.125668 -0.246733
H 0.324973 1.784007 0.380886
H -3.318456 -2.908728 -0.676604
H -4.896328 -1.996307 -0.195987
H 1.668976 -2.648586 -1.097277
H -5.165492 2.815431 1.300045
H 4.402712 0.030678 1.343216
H 4.177719 1.692733 1.938108
H 6.577387 1.022372 2.028299
H 6.312830 2.436170 0.962464
H 4.361164 0.894939 -1.047360
H 3.978249 2.541714 -0.415552
H -2.039606 -4.889763 -1.422481
H -7.081548 -0.984116 0.352016
H 0.467320 -4.761278 -1.637945
H -7.268038 1.393873 1.096908
H 5.600848 -1.085916 -0.158874
H 7.102327 -1.252899 0.828157
H 7.183249 -1.199747 -0.968860
H 8.621262 0.687236 -1.163698
H 8.838884 0.829339 0.616365
H 8.229779 2.225966 -0.341433


