%chk=000001235.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001235

0 1
 O    4.603900      0.9392000       1.124400    
 N   -2.185000     -7.9999998E-02 -0.1458000    
 C   0.3321000      -1.482800      0.3843000    
 C  -0.5441000      -1.788600     -0.8748000    
 C   -1.301200     -0.4952000      -1.254000    
 C  -0.5796000     -0.9726000       1.531000    
 C  -0.2725000      0.5471000      -1.738700    
 C    1.332500     -0.3578000      3.9200000E-02
 C   -1.484600      0.1933000       1.110100    
 C    1.014400      0.6001000     -0.9497000    
 C    1.050000      -2.769700      0.8489000    
 C   -1.522700      -2.966200     -0.7292000    
 C   -3.082800       1.014600     -0.5008000    
 C    2.547200     -0.2094000      0.7350000    
 C    1.920100       1.634300      -1.245400    
 C    3.434800      0.8270000      0.4361000    
 C    3.124200       1.745900     -0.5573000    
 C   -4.122900       1.238800      0.5532000    
 C   -4.263900       2.382000       1.233700    
 H   0.1218000      -2.055100      -1.710000    
 H   -1.949000     -0.7243000      -2.111600    
 H   2.4200000E-02 -0.6567000       2.392100    
 H   -1.212300      -1.793000       1.894200    
 H  -0.7165000       1.546800      -1.788300    
 H   2.2000000E-03  0.2860000      -2.770600    
 H   -2.191300      0.3360000       1.935600    
 H  -0.9000000       1.119300       1.044500    
 H    1.740400      -3.136500      8.0799997E-02
 H    1.620900      -2.617300       1.770600    
 H   0.3419000      -3.572400       1.078200    
 H  -0.9873000      -3.916300     -0.6407000    
 H   -2.182300      -2.864400      0.1370000    
 H   -2.156600      -3.047000      -1.619500    
 H   -3.614200      0.7718000      -1.429400    
 H   -2.530000       1.943400     -0.6854000    
 H    2.820800     -0.8930000       1.533200    
 H    1.683200       2.363300      -2.017100    
 H    3.805400       2.556200     -0.8015000    
 H   -4.806900      0.4207000      0.7662000    
 H    5.094100       1.710100      0.7904000    
 H   -5.041200       2.482500       1.983200    
 H   -3.611700       3.230600       1.059500    


%chk=000001235-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001235

0 1
O 4.764747 0.728790 1.092818
N -2.130196 0.018383 -0.087164
C 0.362935 -1.471638 0.389434
C -0.558865 -1.757606 -0.851656
C -1.289867 -0.441153 -1.228589
C -0.524479 -0.925844 1.560505
C -0.248822 0.589104 -1.757266
C 1.384919 -0.372935 0.003309
C -1.368626 0.296256 1.154306
C 1.065653 0.611683 -0.981561
C 1.066661 -2.769584 0.857009
C -1.566221 -2.914045 -0.672746
C -3.095490 1.087158 -0.430621
C 2.630989 -0.286012 0.670592
C 2.005684 1.631275 -1.267573
C 3.551839 0.738210 0.372017
C 3.247578 1.712061 -0.606455
C -4.257340 1.135219 0.543925
C -4.715674 2.257207 1.152505
H 0.106706 -2.015344 -1.703318
H -1.995832 -0.659964 -2.055088
H 0.125972 -0.653185 2.413905
H -1.196901 -1.735512 1.902262
H -0.694967 1.604007 -1.771051
H -0.033776 0.340559 -2.817804
H -2.094317 0.528912 1.955522
H -0.711993 1.194981 1.046210
H 1.717916 -3.183083 0.064767
H 1.686350 -2.600309 1.755358
H 0.321022 -3.536277 1.129451
H -1.065293 -3.880531 -0.489611
H -2.269498 -2.711000 0.152213
H -2.167913 -3.025772 -1.594823
H -3.490345 0.858327 -1.442528
H -2.627155 2.102757 -0.488057
H 2.920041 -1.012436 1.434061
H 1.756140 2.383113 -2.026972
H 3.957756 2.514076 -0.846351
H -4.739248 0.164487 0.733152
H 5.343928 1.479097 0.810041
H -5.579807 2.234569 1.825946
H -4.238709 3.232698 0.991527


