%chk=000105083.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105083

0 1
 O    2.405800       1.215500       1.629600    
 N   -3.499200      -1.463300     -4.9699999E-02
 N   0.2225000     -0.7776000     -0.1648000    
 C   -1.032900      -1.361200      0.3177000    
 C   -2.244900     -0.8162000     -0.4840000    
 C  -0.9574000      -2.891800      0.2115000    
 C   -2.291700      -3.525400      0.5927000    
 C   -3.436400      -2.916900     -0.2119000    
 C   -2.385400      0.6982000     -0.3992000    
 C    1.343000      -1.243100      0.6348000    
 C   -3.148900       1.264100      0.6167000    
 C   -1.748900       1.503800      -1.337700    
 C    2.649300     -0.6633000      0.1612000    
 C   -3.277600       2.650800      0.6946000    
 C   -1.877600       2.890500      -1.259700    
 C    3.113300      0.5367000      0.6836000    
 C   -2.641800       3.464000     -0.2434000    
 C    3.375800      -1.349600     -0.8032000    
 C    4.325700       1.059800      0.2336000    
 C    4.588000     -0.8263000      -1.253100    
 C    5.062900      0.3784000     -0.7348000    
 C    1.456400       2.173100       1.165600    
 H   -1.168500      -1.081800       1.372600    
 H   -2.110000      -1.066800      -1.547200    
 H  -0.2142000      -3.322800      0.8887000    
 H  -0.6920000      -3.195600     -0.8095000    
 H   -2.251400      -4.606800      0.4199000    
 H   -2.475200      -3.378500       1.664800    
 H   -3.334200      -3.174400      -1.273200    
 H   -4.382800      -3.349400      0.1309000    
 H   -4.273500      -1.108400     -0.6119000    
 H   0.3635000      -1.036200      -1.141500    
 H    1.471800      -2.329200      0.5932000    
 H    1.194100      -1.000000       1.694600    
 H   -3.639100      0.6597000       1.374500    
 H   -1.152900       1.070800      -2.136200    
 H   -3.868400       3.098000       1.488800    
 H   -1.382300       3.523800      -1.989800    
 H   -2.740600       4.543800     -0.1818000    
 H    3.015700      -2.287300      -1.217400    
 H    4.702000       1.997700      0.6332000    
 H    5.161800      -1.356400      -2.007700    
 H    6.006600      0.7858000      -1.085300    
 H   0.5750000       2.128100       1.811200    
 H    1.148000       1.989500      0.1313000    
 H    1.895900       3.172200       1.237700    


%chk=000105083-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105083

0 1
O 2.334200 1.597239 1.418982
N -3.485376 -1.475759 -0.170091
N 0.253961 -0.908137 -0.146655
C -1.047469 -1.501292 0.246936
C -2.202063 -0.848823 -0.579962
C -1.094859 -3.050375 0.092918
C -2.480557 -3.633334 0.451237
C -3.567223 -2.934855 -0.388891
C -2.291992 0.659305 -0.376403
C 1.374305 -1.134302 0.810948
C -2.738434 1.183206 0.864306
C -1.945403 1.559588 -1.411899
C 2.681572 -0.569811 0.279587
C -2.823251 2.578125 1.066148
C -2.029012 2.957271 -1.214630
C 3.099920 0.759818 0.574420
C -2.466771 3.471538 0.027688
C 3.542510 -1.380033 -0.502747
C 4.340720 1.249154 0.104454
C 4.776549 -0.893980 -0.990438
C 5.178624 0.425535 -0.679298
C 1.154649 2.228920 0.774204
H -1.223782 -1.240661 1.309394
H -1.969219 -1.045158 -1.661788
H -0.306351 -3.514398 0.715608
H -0.860063 -3.299428 -0.965415
H -2.501520 -4.724928 0.267996
H -2.694855 -3.464992 1.524020
H -3.423235 -3.217558 -1.463808
H -4.573331 -3.278677 -0.085967
H -4.291605 -0.962603 -0.547883
H 0.524846 -1.183693 -1.102923
H 1.529349 -2.215681 1.040010
H 1.111498 -0.628461 1.758464
H -3.030467 0.486494 1.657971
H -1.603027 1.164803 -2.376479
H -3.169537 2.970524 2.029450
H -1.756239 3.641366 -2.026411
H -2.535291 4.554333 0.183337
H 3.244543 -2.415386 -0.715203
H 4.634160 2.268702 0.375435
H 5.424265 -1.541426 -1.591557
H 6.140493 0.808884 -1.038257
H 0.620025 2.750408 1.582612
H 0.506402 1.464463 0.309425
H 1.487641 2.960075 0.011155


