%chk=000045839.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045839

0 1
 O   -3.291500      -1.748700      0.9560000    
 N   -2.281400      0.2431000      0.3813000    
 N   0.3668000      0.5675000     -0.6222000    
 C   -1.170900      0.1892000       1.314600    
 C   -1.999900       1.371500     -0.4936000    
 C   -1.017900       1.662700       1.716500    
 C   -1.568400       2.451500      0.5102000    
 C   5.3300001E-02 -0.3182000      0.5187000    
 C  -0.8288000      0.9409000      -1.407000    
 C   -3.255500     -0.7252000      0.2710000    
 C    1.407000     -2.4999999E-03  -1.471300    
 C   -4.322700     -0.4605000     -0.7587000    
 C    2.689800     -0.2237000     -0.7148000    
 C   -5.299400      -1.611200     -0.7981000    
 C    3.638800      0.7881000     -0.6679000    
 C    2.905300      -1.436100     -7.4500002E-02
 C    4.827100      0.5833000      3.3000000E-02
 C    4.093700      -1.640800      0.6266000    
 C    5.054600     -0.6310000      0.6803000    
 H   -1.382200     -0.4649000       2.166000    
 H   -2.863900       1.677600      -1.088100    
 H   1.3000000E-02   1.936200       1.962500    
 H   -1.636400       1.879300       2.595700    
 H   -2.439600       3.034100      0.8335000    
 H  -0.8366000       3.153100      9.7400002E-02
 H  -0.1527000      -1.338600      0.1694000    
 H   0.8882000     -0.3497000       1.226000    
 H  -0.5759000       1.770100      -2.078400    
 H   -1.153000      9.4499998E-02  -2.027000    
 H    1.614300      0.6728000      -2.312400    
 H    1.077700     -0.9468000      -1.926700    
 H   -4.846600      0.4664000     -0.5026000    
 H   -3.857000     -0.3453000      -1.742900    
 H   -6.072900      -1.424100      -1.549900    
 H   -5.798700      -1.747800      0.1673000    
 H   -4.801700      -2.551900      -1.057600    
 H    3.471000       1.738700      -1.166400    
 H    2.172800      -2.237100     -0.1183000    
 H    5.575100       1.369600      7.5400002E-02
 H    4.272200      -2.587400       1.128200    
 H    5.980200     -0.7907000       1.225700    


%chk=000045839-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045839

0 1
O -3.614563 -1.454973 1.244820
N -2.365113 0.273479 0.339965
N 0.333730 0.220563 -0.647752
C -1.226257 0.171602 1.287932
C -1.917723 1.271206 -0.663264
C -0.883334 1.668013 1.546037
C -1.339543 2.404668 0.238958
C -0.076237 -0.559837 0.550783
C -0.805323 0.600484 -1.517086
C -3.468810 -0.560021 0.351120
C 1.455767 -0.391291 -1.391233
C -4.508042 -0.325596 -0.760527
C 2.772451 -0.370036 -0.617864
C -5.742391 -1.230652 -0.600910
C 3.146120 0.771453 0.135788
C 3.662643 -1.469616 -0.679561
C 4.385768 0.813877 0.810088
C 4.907519 -1.429154 -0.009343
C 5.273358 -0.286400 0.737867
H -1.533998 -0.393382 2.180896
H -2.744066 1.604919 -1.310165
H 0.195701 1.798023 1.732434
H -1.439688 2.038015 2.424460
H -2.123320 3.151199 0.457006
H -0.497649 2.914404 -0.258976
H -0.425060 -1.587773 0.283154
H 0.800402 -0.662614 1.215200
H -0.438953 1.306209 -2.287675
H -1.255292 -0.279354 -2.045978
H 1.578359 0.189947 -2.328365
H 1.230552 -1.443875 -1.699995
H -4.811621 0.740827 -0.757435
H -4.027805 -0.506669 -1.744160
H -6.457219 -1.060209 -1.426488
H -6.252893 -1.033530 0.356830
H -5.448745 -2.293604 -0.596282
H 2.445169 1.612346 0.190385
H 3.380081 -2.363222 -1.250722
H 4.662117 1.701833 1.390485
H 5.585494 -2.288511 -0.064663
H 6.235717 -0.254746 1.261135


