%chk=000020830.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020830

0 1
 O    1.021500       2.326400      0.3772000    
 N   -2.592700      0.2075000     -0.3154000    
 C  -0.1801000      0.2392000      0.1874000    
 C   -1.390700       1.040400     -0.2866000    
 C   -2.874300     -0.3347000       1.021200    
 C   -3.736700      0.9733000     -0.8298000    
 C   3.2699998E-02 -0.9796000     -0.7092000    
 C   -4.100700      -1.248200      0.9988000    
 C   -4.991400      0.1025000     -0.9128000    
 C   -5.320000     -0.5263000      0.4364000    
 C    1.224600      -1.796800     -0.2258000    
 C    1.071400       1.110600      0.2121000    
 C    2.462700     -0.9497000     -0.1167000    
 C    2.391500      0.4352000      9.7199999E-02
 C    3.722400      -1.561900     -0.1881000    
 C    3.563300       1.194300      0.2084000    
 C    4.888400     -0.8044000     -7.4699998E-02
 C    4.808300      0.5721000      0.1203000    
 H  -0.2939000     -7.1000002E-02   1.232900    
 H   -1.187900       1.432400      -1.292400    
 H   -1.540800       1.913800      0.3627000    
 H   -3.027600      0.4727000       1.749200    
 H   -2.063600     -0.9662000       1.393600    
 H   -3.512600       1.344400      -1.837200    
 H   -3.938100       1.848100     -0.1973000    
 H   0.2082000     -0.6573000      -1.744800    
 H  -0.8434000      -1.636900     -0.7223000    
 H   -4.318200      -1.602600       2.012900    
 H   -3.888000      -2.135300      0.3886000    
 H   -4.840500     -0.6890000      -1.657900    
 H   -5.839300      0.7063000      -1.255500    
 H   -6.156600      -1.225700      0.3321000    
 H   -5.637900      0.2555000       1.137000    
 H    1.393700      -2.620700     -0.9295000    
 H    1.009300      -2.235300      0.7561000    
 H    3.802300      -2.636200     -0.3362000    
 H    3.528100       2.268400      0.3688000    
 H    5.858400      -1.288800     -0.1370000    
 H    5.716500       1.161300      0.2087000    


%chk=000020830-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020830

0 1
O 1.026495 2.254398 0.668321
N -2.635818 0.193359 -0.109832
C -0.132917 0.158085 0.141024
C -1.393048 1.007449 -0.149334
C -3.100762 -0.061267 1.278282
C -3.723348 0.780354 -0.935783
C 0.114397 -0.927917 -0.932609
C -4.300824 -1.029983 1.297235
C -4.944601 -0.159866 -0.993127
C -5.456871 -0.483403 0.429176
C 1.315852 -1.812950 -0.548125
C 1.114264 1.032803 0.337312
C 2.562154 -0.984593 -0.268709
C 2.450603 0.376597 0.148274
C 3.854626 -1.545053 -0.414140
C 3.621535 1.138948 0.411146
C 5.013166 -0.784234 -0.147535
C 4.897690 0.566281 0.268129
H -0.278026 -0.370624 1.111940
H -1.294683 1.437058 -1.165118
H -1.425945 1.867935 0.557893
H -3.393735 0.899615 1.780582
H -2.265801 -0.488801 1.864068
H -3.329333 0.952814 -1.954912
H -4.048477 1.776375 -0.531786
H 0.306337 -0.440037 -1.909987
H -0.807807 -1.526404 -1.036743
H -4.634394 -1.181773 2.342002
H -3.973168 -2.011471 0.902608
H -4.646473 -1.097666 -1.501188
H -5.743216 0.311155 -1.598322
H -6.289155 -1.211302 0.386009
H -5.858999 0.441217 0.893245
H 1.528827 -2.555071 -1.340311
H 1.055875 -2.396515 0.361452
H 3.951432 -2.586563 -0.744408
H 3.492595 2.179013 0.729041
H 6.003665 -1.237862 -0.267855
H 5.796186 1.157695 0.474483


