%chk=000063974.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063974

0 1
 O    2.729000      -1.976200      0.2912000    
 O   0.7733000      0.6548000       2.264500    
 O   -5.937600      -2.197900      0.2499000    
 O   -7.303300      9.2900001E-02 -0.5329000    
 N    1.202800      0.3057000     -2.2600001E-02
 N    2.579800      0.3227000     -6.6799998E-02
 N  -0.8721000      0.1458000     -0.8118000    
 N    4.495900       1.666900     -0.3362000    
 C   0.3991000      0.1252000      -1.088600    
 C    3.206700       1.537800     -0.2763000    
 C    3.252400     -0.8833000      0.1020000    
 C    4.726100     -0.7570000      3.6499999E-02
 C   0.4557000      0.4694000       1.106800    
 C  -0.9213000      0.3586000      0.5511000    
 C    5.283400      0.5118000     -0.1795000    
 C   -2.018700      0.4570000       1.303000    
 C   0.9484000     -8.0799997E-02  -2.460400    
 C    2.342800       2.762700     -0.4418000    
 C    5.540500      -1.883800      0.1874000    
 C   -3.408900      0.3575000      0.8208000    
 C    6.676200      0.6317000     -0.2419000    
 C    6.926000      -1.745200      0.1225000    
 C    7.493300     -0.4903000     -9.1700003E-02
 C   -4.018800     -0.8844000      0.7638000    
 C   -4.075000       1.508400      0.4342000    
 C   -5.333400     -0.9782000      0.3068000    
 C   -6.018700      0.1714000     -8.6300001E-02
 C   -5.389500       1.414600     -2.2800000E-02
 C   -5.802000      -2.932200     -0.9653000    
 C   -7.932300       1.314500     -0.9154000    
 H   -1.932300      0.6275000       2.373900    
 H    1.626200      0.7323000      -2.730000    
 H   0.1354000     -0.1244000      -3.190100    
 H    1.505000      -1.021800      -2.491800    
 H    2.971100       3.645100     -0.5979000    
 H    1.742200       2.927100      0.4568000    
 H    1.681400       2.659300      -1.304700    
 H    5.116600      -2.869800      0.3548000    
 H    7.135000       1.603500     -0.4085000    
 H    7.564400      -2.616200      0.2389000    
 H    8.573200     -0.3846000     -0.1420000    
 H   -3.489000      -1.783200       1.070300    
 H   -3.594100       2.482000      0.4799000    
 H   -5.859300       2.348500     -0.3111000    
 H   -6.342300      -3.876600     -0.8571000    
 H   -4.748400      -3.152400      -1.164400    
 H   -6.234400      -2.375400      -1.802600    
 H   -8.946500       1.065400      -1.244400    
 H   -7.426600       1.778800      -1.768900    
 H   -8.032800       1.999700     -6.6799998E-02


%chk=000063974-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063974

0 1
O 2.698503 -1.716199 0.778302
O 0.925850 1.903712 1.383225
O -5.368745 -1.622730 -1.638857
O -7.422693 -0.397107 -0.129856
N 1.379183 0.352898 -0.390377
N 2.773874 0.362499 -0.322505
N -0.711023 -0.377580 -0.920158
N 4.804250 1.575560 -0.707021
C 0.581188 -0.512662 -1.191488
C 3.491220 1.487647 -0.813515
C 3.396901 -0.752011 0.362739
C 4.857132 -0.618279 0.472552
C 0.530006 1.072921 0.525534
C -0.822969 0.586401 0.131015
C 5.509354 0.536999 -0.068067
C -1.974715 1.041322 0.740903
C 1.179532 -1.443478 -2.191859
C 2.699870 2.595253 -1.456498
C 5.611648 -1.632335 1.119617
C -3.356561 0.676477 0.486294
C 6.922068 0.649862 0.048243
C 7.005706 -1.504918 1.227241
C 7.659232 -0.360145 0.688141
C -3.744768 -0.279762 -0.503703
C -4.379154 1.302603 1.257983
C -5.092913 -0.606622 -0.709916
C -6.106791 0.018232 0.093654
C -5.733228 0.980726 1.065082
C -6.354914 -1.337409 -2.702323
C -8.473343 0.148873 0.738625
H -1.800795 1.784426 1.533229
H 1.869327 -0.920357 -2.879327
H 0.369834 -1.908987 -2.772900
H 1.752959 -2.237064 -1.678429
H 3.411693 3.321833 -1.872632
H 2.064207 3.102359 -0.708262
H 2.039312 2.221668 -2.259198
H 5.078448 -2.498431 1.524853
H 7.402438 1.539883 -0.368608
H 7.591909 -2.283926 1.725589
H 8.747147 -0.265596 0.775680
H -2.979536 -0.775665 -1.106763
H -4.103112 2.043120 2.017729
H -6.495153 1.468113 1.680117
H -6.353336 -2.238100 -3.334567
H -6.035087 -0.460888 -3.298696
H -7.357749 -1.163305 -2.279273
H -9.397913 -0.348315 0.411906
H -8.570902 1.243804 0.611225
H -8.272791 -0.090418 1.799821


