%chk=000045978.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045978

1 1
 O    6.701300     -0.4630000      5.9799999E-02
 O    8.038500       1.410100      5.1000002E-03
 N   -7.104800      0.1349000      6.8899997E-02
 N    8.945500     -0.6985000      0.1395000    
 C   -5.901500     -0.7297000      5.5399999E-02
 C   -4.637000      0.1086000     -8.4600002E-02
 C   -3.350100     -0.7211000     -5.5599999E-02
 C   -2.111100      0.1752000     -0.1219000    
 C  -0.8240000     -0.6496000     -5.1800001E-02
 C   -7.061900       1.114400       1.250900    
 C   -8.382600     -0.7075000      0.1959000    
 C   -7.203500      0.9560000      -1.225200    
 C   0.4133000      0.2497000     -8.5100003E-02
 C    1.732100     -0.5289000     -0.1074000    
 C    3.008300      0.3184000     -7.9499997E-02
 C    4.291100     -0.5160000     -1.0400000E-02
 C    5.542600      0.3546000     -1.6799999E-02
 C    7.903700      0.1924000      6.2799998E-02
 H   -5.885400      -1.306300      0.9882000    
 H   -5.993900      -1.433600     -0.7806000    
 H   -4.635000      0.6642000      -1.027800    
 H   -4.557800      0.8396000      0.7256000    
 H   -3.346900      -1.424000     -0.8973000    
 H   -3.322300      -1.317200      0.8646000    
 H   -2.126700      0.7570000      -1.051500    
 H   -2.130300      0.8915000      0.7086000    
 H  -0.7920000      -1.349600     -0.8954000    
 H  -0.8147000      -1.248900      0.8666000    
 H   -6.309100       1.885100       1.070100    
 H   -6.845100      0.5483000       2.161400    
 H   -8.043100       1.593600       1.330100    
 H   -8.427800      -1.386700     -0.6605000    
 H   -9.247700     -3.8100000E-02  0.2018000    
 H   -8.325700      -1.270900       1.131800    
 H   -7.100400      0.2748000      -2.074800    
 H   -6.430300       1.727800      -1.235700    
 H   -8.185500       1.439500      -1.246200    
 H   0.4021000      0.9110000      0.7901000    
 H   0.3721000      0.8963000     -0.9703000    
 H    1.747400      -1.207600      0.7551000    
 H    1.752000      -1.165900      -1.000800    
 H    2.971400      0.9913000      0.7861000    
 H    3.032700      0.9531000     -0.9737000    
 H    4.286500      -1.139300      0.8923000    
 H    4.331900      -1.214000     -0.8559000    
 H    5.523200       1.036300      0.8418000    
 H    5.576700      0.9467000     -0.9391000    
 H    9.909800     -0.3841000      0.1527000    
 H    8.782900      -1.698800      0.1854000    


%chk=000045978-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045978

1 1
O 6.798901 -0.569580 -0.013173
O 8.192940 1.331784 -0.102910
N -7.260608 0.137948 0.012397
N 9.058011 -0.851841 -0.010200
C -5.881210 -0.588326 0.063637
C -4.639408 0.311704 -0.000632
C -3.354759 -0.561539 0.036126
C -2.066769 0.292982 -0.004990
C -0.779056 -0.561723 0.017507
C -7.403848 1.106855 1.183435
C -8.357554 -0.923236 0.107963
C -7.420060 0.897890 -1.302288
C 0.508107 0.293122 -0.015746
C 1.800903 -0.553214 0.003704
C 3.083255 0.308196 -0.029478
C 4.375875 -0.540320 -0.007016
C 5.625868 0.340470 -0.045846
C 8.049534 0.085470 -0.047293
H -5.888479 -1.170313 1.003061
H -5.889909 -1.298169 -0.783236
H -4.624901 0.911860 -0.929977
H -4.608692 1.012248 0.855045
H -3.355750 -1.262499 -0.823290
H -3.351049 -1.182838 0.954893
H -2.069794 0.923571 -0.917994
H -2.057429 0.989118 0.858948
H -0.780349 -1.254835 -0.849095
H -0.772719 -1.197244 0.927218
H -6.654580 1.904931 1.091751
H -7.252017 0.557453 2.125090
H -8.414565 1.542891 1.163368
H -8.259748 -1.620363 -0.738160
H -9.342316 -0.432291 0.074593
H -8.246415 -1.471352 1.055884
H -7.270459 0.200498 -2.140637
H -6.677394 1.705954 -1.352415
H -8.434222 1.324046 -1.346882
H 0.512256 0.985583 0.851615
H 0.503098 0.930872 -0.924127
H 1.811183 -1.190560 0.912094
H 1.802136 -1.245257 -0.863739
H 3.080539 1.001751 0.836884
H 3.073205 0.944477 -0.938737
H 4.401385 -1.166575 0.905657
H 4.390931 -1.230222 -0.872787
H 5.678254 1.023975 0.822399
H 5.672890 0.953109 -0.965746
H 10.021788 -0.530855 -0.028744
H 8.841898 -1.844504 0.034568


