%chk=000013494.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013494

0 1
 O   0.2728000       1.305800     -0.8137000    
 O   -3.341500       1.364400       2.261000    
 O    7.758500      0.9697000      0.1770000    
 O    7.055400       1.815700      -1.722800    
 N   -2.068700      0.8774000      0.3843000    
 N    1.503400      0.4808000       1.006000    
 N  -0.9872000      -4.260200     -0.7382000    
 N    6.830800       1.303900     -0.5992000    
 N  -0.9993000      -6.274700      0.5701000    
 N  -0.9716000      -6.365700      -1.707200    
 C  -0.9058000      0.3991000       1.086900    
 C  -0.9924000      -1.104100       1.378100    
 C  -0.9774000      -1.986800      0.1243000    
 C   0.3455000      0.7792000      0.2930000    
 C   -1.003600      -3.466400      0.4915000    
 C   -3.206500       1.326800       1.040800    
 C    2.843700      0.6876000      0.6018000    
 C   -4.330500       1.762600      0.1726000    
 C    3.891200      0.3242000       1.448300    
 C    3.117300       1.255200     -0.6426000    
 C   -5.642300       1.690800      0.6413000    
 C   -4.074000       2.244400      -1.111200    
 C    5.212300      0.5284000       1.050400    
 C    4.438600       1.459500      -1.040600    
 C  -0.9865000      -5.549600     -0.6007000    
 C    5.486100       1.096200     -0.1939000    
 C   -6.697700       2.100200     -0.1738000    
 C   -5.129400       2.654000      -1.926100    
 C   -6.441200       2.581900      -1.457300    
 H  -0.8528000      0.9315000       2.045800    
 H   -1.912800      -1.307700       1.941000    
 H  -0.1643000      -1.405000       2.031000    
 H  -8.1500001E-02  -1.784500     -0.4745000    
 H   -1.840100      -1.752600     -0.5110000    
 H   -2.057300      0.8013000     -0.6274000    
 H   -1.910400      -3.680100       1.070100    
 H  -0.1273000      -3.700700       1.108100    
 H    1.397300      7.7299997E-02   1.933700    
 H    3.691200     -0.1192000       2.420500    
 H    2.362000       1.560200      -1.352900    
 H   -5.863000       1.314400       1.636600    
 H   -3.066500       2.346600      -1.503300    
 H    6.002700      0.2330000       1.735700    
 H    4.615600       1.903700      -2.017000    
 H   -7.719200       2.043400      0.1907000    
 H   -4.929900       3.036000      -2.923000    
 H   -7.262800       2.902300      -2.091300    
 H  -0.9973000      -7.289000      0.5565000    
 H   -1.012600      -5.830800       1.481400    
 H  -0.9717000      -7.376100      -1.621100    
 H  -0.9614000      -5.977500      -2.644100    


%chk=000013494-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013494

0 1
O 0.301149 1.277966 -0.825301
O -3.430527 0.873116 2.236236
O 7.899315 0.993239 0.341778
O 7.242453 1.771763 -1.701400
N -2.049691 0.907749 0.378431
N 1.554479 0.562807 1.029002
N -1.083646 -4.252062 -0.778345
N 6.988622 1.306584 -0.522296
N -1.091375 -6.368307 0.421090
N -0.745034 -6.288066 -1.900083
C -0.901703 0.423802 1.144361
C -0.982550 -1.111225 1.431644
C -0.923745 -1.990464 0.168128
C 0.362755 0.801396 0.346673
C -1.153806 -3.483196 0.478662
C -3.273335 1.106187 0.990633
C 2.886192 0.767086 0.591780
C -4.394531 1.615410 0.124030
C 3.929534 0.437831 1.504626
C 3.208362 1.279304 -0.697366
C -5.534388 2.147501 0.779291
C -4.368815 1.566184 -1.294861
C 5.273634 0.612305 1.146460
C 4.555795 1.453804 -1.056530
C -0.991309 -5.561057 -0.724611
C 5.575185 1.120882 -0.137461
C -6.622579 2.641481 0.031282
C -5.460856 2.057433 -2.043009
C -6.587485 2.601044 -1.382987
H -0.895943 0.944049 2.125795
H -1.932757 -1.270711 1.974973
H -0.170757 -1.396104 2.135500
H 0.051887 -1.889408 -0.346014
H -1.696227 -1.667601 -0.554108
H -1.845218 1.227131 -0.574271
H -2.153155 -3.586727 0.965292
H -0.396975 -3.822662 1.230850
H 1.453126 0.174439 1.970807
H 3.682688 0.044345 2.498244
H 2.405009 1.530279 -1.390921
H -5.540723 2.155284 1.874185
H -3.521299 1.119987 -1.828576
H 6.087983 0.365960 1.832184
H 4.830152 1.844176 -2.040030
H -7.496396 3.055358 0.546254
H -5.436359 2.009477 -3.137107
H -7.433228 2.982492 -1.965900
H -0.671122 -7.294708 0.440492
H -1.374350 -5.951131 1.302697
H -1.177833 -7.202688 -2.022427
H -0.612703 -5.714934 -2.732175


