%chk=000039842.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039842

0 1
 O   -1.282400      -4.684800      6.5200001E-02
 N    2.902100      -2.296200     -0.6029000    
 C   0.7809000      -3.475300     -0.2626000    
 C    1.676000      -2.320200      0.1872000    
 C  -0.5395000      -3.552100      0.5208000    
 C    3.720500      -1.135500     -0.2485000    
 C    2.956600      0.1671000     -0.4887000    
 C   -1.414800      -2.329600      0.3705000    
 C    3.662600      -3.532000     -0.4105000    
 C    3.796900       1.372200     -0.1485000    
 C   -1.808100      -1.929500     -0.8961000    
 C   -1.807100      -1.633000       1.501700    
 C   -3.020000     -8.8900000E-02  9.4200000E-02
 C   -2.616400     -0.8013000      -1.035100    
 C   -2.615400     -0.5048000       1.362600    
 C    3.764000       1.883300       1.140200    
 C    4.589100       1.949200      -1.129700    
 C   -3.858000       1.081800     -5.0600000E-02
 C    4.541400       2.997900       1.455100    
 C    5.366500       3.063600     -0.8147000    
 C    5.342700       3.588000      0.4778000    
 C   -5.246700      0.9518000     -3.3199999E-02
 C   -3.277200       2.340400     -0.2069000    
 C   -6.054600       2.080300     -0.1724000    
 C   -4.085300       3.468900     -0.3460000    
 C   -5.474000       3.338700     -0.3287000    
 H    1.275600      -4.441700     -0.1099000    
 H   0.5875000      -3.415100      -1.341700    
 H    1.886600      -2.398100       1.261700    
 H    1.087100      -1.416300      2.9400000E-02
 H  -0.3159000      -3.725900       1.580700    
 H    4.628700      -1.128000     -0.8656000    
 H    4.049300      -1.193300      0.7983000    
 H    2.052200      0.2533000      0.1214000    
 H    2.625800      0.2314000      -1.533800    
 H    3.816700      -3.769500      0.6485000    
 H    4.651500      -3.448900     -0.8782000    
 H    3.191200      -4.384800     -0.9078000    
 H   -1.511300      -2.477500      -1.785200    
 H   -1.497900      -1.946300       2.494600    
 H  -0.7359000      -5.474900      0.2156000    
 H   -2.924400     -0.4917000      -2.031100    
 H   -2.920700      3.9400000E-02   2.253300    
 H    3.145800       1.429700       1.909600    
 H    4.615800       1.547000      -2.138400    
 H    4.523500       3.405700       2.461500    
 H    5.990900       3.522800      -1.575400    
 H    5.948300       4.455500      0.7231000    
 H   -5.715900     -2.1900000E-02  8.8000000E-02
 H   -2.196400       2.459600     -0.2225000    
 H   -7.135900       1.979200     -0.1588000    
 H   -3.633400       4.448900     -0.4677000    
 H   -6.103100       4.217400     -0.4370000    


%chk=000039842-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039842

0 1
O -1.291266 -4.743519 -1.018265
N 3.028317 -2.408328 -0.082563
C 0.829390 -3.527122 -0.582855
C 1.617653 -2.576496 0.344094
C -0.619436 -3.800017 -0.097076
C 3.604279 -1.091392 0.286083
C 3.102703 0.056731 -0.633407
C -1.475190 -2.543757 -0.054724
C 3.884211 -3.538643 0.333338
C 3.775180 1.378549 -0.295157
C -2.016631 -2.000388 -1.246039
C -1.714484 -1.869071 1.165963
C -3.006323 -0.118942 0.006877
C -2.770251 -0.810902 -1.214373
C -2.464339 -0.674666 1.197443
C 3.224149 2.253535 0.676925
C 4.998555 1.744998 -0.914597
C -3.804142 1.140951 0.038206
C 3.875713 3.459794 1.021264
C 5.654216 2.949758 -0.574853
C 5.094811 3.812082 0.396868
C -4.637746 1.453374 1.148056
C -3.752881 2.066379 -1.041156
C -5.390784 2.646418 1.179125
C -4.506334 3.259255 -1.012482
C -5.329463 3.556833 0.098468
H 1.361057 -4.499313 -0.655512
H 0.798520 -3.094465 -1.599592
H 1.557597 -2.945283 1.402376
H 1.123511 -1.589354 0.329928
H -0.573757 -4.243063 0.922974
H 4.703502 -1.159920 0.180858
H 3.403764 -0.822419 1.354133
H 2.004745 0.154887 -0.538209
H 3.314387 -0.239336 -1.677112
H 3.974521 -3.640376 1.445154
H 4.898603 -3.411262 -0.083934
H 3.480431 -4.488591 -0.059509
H -1.872657 -2.541209 -2.186771
H -1.312130 -2.279062 2.100958
H -0.687139 -5.513917 -1.174373
H -3.211620 -0.429856 -2.142393
H -2.611715 -0.156128 2.151606
H 2.273072 1.992064 1.158145
H 5.433642 1.083579 -1.674810
H 3.431803 4.125754 1.770278
H 6.594913 3.218607 -1.069229
H 5.599171 4.748754 0.659965
H -4.721259 0.741540 1.977284
H -3.095570 1.864421 -1.894577
H -6.033251 2.860702 2.040745
H -4.443996 3.960939 -1.851979
H -5.914551 4.482894 0.121235


