%chk=000127492.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127492

0 1
 O   -5.051000      0.8024000      0.5162000    
 O  -1.4200000E-02  -1.385400       2.629700    
 O   -3.975900       3.367900      0.2050000    
 O    5.074200      -1.456000     -0.7733000    
 O    1.703700       3.765500     -1.7000001E-02
 N   -1.057900      -1.383100     -0.9615000    
 N    3.884500      -1.276200     -0.3011000    
 C   -3.476900      -1.560600     -2.1600001E-02
 C   -3.254100     -0.1986000     -0.7177000    
 C   -1.019300      -1.771700      0.4743000    
 C   -2.433200      -1.738800       1.096300    
 C   -1.767600     -9.1399997E-02  -1.126000    
 C   -3.207000      -2.651400      -1.075700    
 C   -1.817100      -2.424300      -1.696000    
 C   -3.691700      0.9916000      0.1331000    
 C  -2.4599999E-02 -0.9327000       1.279400    
 C   -3.585900       2.294400     -0.6450000    
 C    1.369600      -1.015000      0.7106000    
 C    2.054700      0.1237000      0.2859000    
 C    1.948800      -2.270200      0.6249000    
 C    3.357600     -3.8800001E-02 -0.2350000    
 C    3.228900      -2.371200      0.1060000    
 C    1.508500       1.415100      0.3534000    
 C    4.087800       1.069800     -0.6747000    
 C    2.243700       2.517500     -8.7499999E-02
 C    3.529100       2.344900     -0.5998000    
 C   0.3853000       3.872700      0.5171000    
 H   -4.492300      -1.664800      0.3736000    
 H   -3.868500     -0.2046000      -1.630400    
 H  -0.6966000      -2.820900      0.5315000    
 H   -2.549200     -0.9365000       1.831500    
 H   -2.620800      -2.680800       1.627000    
 H   -1.703400      0.2179000      -2.177500    
 H   -1.246200      0.6928000     -0.5720000    
 H   -3.973500      -2.623900      -1.859100    
 H   -3.254400      -3.642800     -0.6093000    
 H   -1.252200      -3.364800      -1.701200    
 H   -1.915700      -2.136600      -2.750400    
 H   -3.110800       1.071900       1.057500    
 H  -0.4106000      8.0200002E-02   1.349700    
 H   -2.569100       2.500300     -0.9866000    
 H   -4.253600       2.303400      -1.513000    
 H   -5.587700      0.7468000     -0.2930000    
 H  -0.8338000      -1.093400       3.061700    
 H    1.446800      -3.169300      0.9655000    
 H   -4.883700       3.188100      0.5041000    
 H    3.755200      -3.309600      8.3999997E-03
 H   0.5213000       1.562300      0.7570000    
 H    5.091700      0.9732000      -1.079600    
 H    4.101100       3.202800     -0.9430000    
 H   0.3463000       3.559500       1.566100    
 H  -0.3470000       3.348500     -0.1059000    
 H   0.1154000       4.933800      0.4948000    


%chk=000127492-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127492

0 1
O -4.608070 1.196193 0.545595
O 0.018683 -1.579731 2.713399
O -3.025766 3.481895 -0.064942
O 5.023167 -1.094726 -1.104515
O 1.468133 3.994361 0.201588
N -1.119756 -1.851861 -0.902270
N 3.826640 -1.061234 -0.514501
C -3.562290 -1.556894 -0.083579
C -3.122197 -0.283017 -0.870915
C -1.147982 -2.000582 0.586418
C -2.618317 -1.808320 1.127338
C -1.624441 -0.518250 -1.327333
C -3.472981 -2.774694 -1.043470
C -1.976023 -2.916110 -1.510769
C -3.264977 1.028439 -0.078725
C -0.146652 -1.062712 1.329232
C -2.975904 2.288777 -0.913885
C 1.235199 -1.000832 0.716021
C 1.858106 0.232491 0.298332
C 1.957491 -2.189631 0.534201
C 3.153644 0.181072 -0.334433
C 3.229449 -2.215799 -0.062600
C 1.272944 1.533887 0.478930
C 3.809720 1.359562 -0.788742
C 1.938719 2.689674 0.045719
C 3.210916 2.600982 -0.608372
C 0.210416 4.200252 0.936617
H -4.597025 -1.430293 0.282059
H -3.771659 -0.209434 -1.772125
H -0.810154 -3.033991 0.796036
H -2.686411 -0.955984 1.834241
H -2.964724 -2.705148 1.673947
H -1.533086 -0.458174 -2.426062
H -0.953238 0.254379 -0.911607
H -4.148178 -2.626288 -1.907819
H -3.812310 -3.687078 -0.517725
H -1.557441 -3.897293 -1.224199
H -1.890393 -2.827827 -2.608799
H -2.592899 1.035339 0.799238
H -0.590746 -0.048519 1.383326
H -1.959974 2.270785 -1.343022
H -3.709152 2.362570 -1.748829
H -5.298936 1.049700 -0.152432
H -0.872295 -1.601119 3.152164
H 1.533485 -3.140900 0.866368
H -3.842485 3.395615 0.496337
H 3.814707 -3.122235 -0.217717
H 0.313909 1.624405 0.994756
H 4.785717 1.243284 -1.266200
H 3.690625 3.526818 -0.938125
H 0.277699 3.774676 1.956835
H -0.660183 3.775050 0.404391
H 0.095971 5.292068 0.998026


