%chk=000079444.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079444

0 1
 O    2.902200       4.299500     -1.2000001E-03
 O   -4.439400       3.659900      0.5253000    
 O   -3.515000      -4.612800      0.6183000    
 O    4.899500      -3.129200     -0.4433000    
 N   -1.609500     -0.2226000     -0.1272000    
 N    1.998800      0.7251000      4.2500000E-02
 C  -0.3657000      0.4411000     -0.5224000    
 C   0.7555000      7.7799998E-02  0.4466000    
 C   -2.764100      0.5114000     -0.6482000    
 C   -1.625200      -1.603400     -0.5944000    
 C    3.151900      2.3200000E-02  0.6081000    
 C    2.006000       2.129400      0.4555000    
 C   -3.027200       1.753400      0.1971000    
 C   -2.590500      -2.435000      0.2442000    
 C    3.474600      -1.217200     -0.2188000    
 C    2.939700       2.943300     -0.4260000    
 C   -4.237600       2.526900     -0.3081000    
 C   -2.612300      -3.889400     -0.2068000    
 C    4.658200      -1.981500      0.3587000    
 H  -0.4887000       1.526100     -0.5386000    
 H  -8.9699998E-02  0.1673000      -1.550900    
 H   0.4828000      0.3588000       1.473800    
 H   0.8738000      -1.008800      0.4637000    
 H   -3.674500     -9.7099997E-02 -0.6138000    
 H   -2.619300      0.7826000      -1.702600    
 H  -0.6398000      -2.074400     -0.5051000    
 H   -1.888500      -1.661300      -1.659200    
 H    2.980000     -0.2412000       1.660100    
 H    4.047700      0.6553000      0.5969000    
 H    2.280500       2.241000       1.513800    
 H    1.017300       2.596300      0.3802000    
 H   -2.173000       2.438600      0.2178000    
 H   -3.198200       1.468000       1.243700    
 H   -3.614800      -2.048400      0.2016000    
 H   -2.304100      -2.393900       1.303500    
 H    3.702000     -0.9331000      -1.254800    
 H    2.624100      -1.904900     -0.2847000    
 H    2.620700       2.903100      -1.473200    
 H    3.977200       2.603600     -0.3629000    
 H   -4.078600       2.873600      -1.334200    
 H   -5.139500       1.907500     -0.2762000    
 H   -2.948300      -3.970900      -1.245500    
 H   -1.620000      -4.342500     -0.1160000    
 H    5.560700      -1.362000      0.3610000    
 H    4.448700      -2.310700       1.381500    
 H    3.496300       4.798800     -0.5872000    
 H   -5.215300       4.133500      0.1798000    
 H   -3.508800      -5.534400      0.3082000    
 H    5.657300      -3.596300     -5.2000001E-02


%chk=000079444-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000079444

0 1
O 2.984407 4.391588 -0.065943
O -4.470247 3.685496 0.612830
O -3.610626 -4.651084 0.631861
O 4.858505 -3.193986 -0.532711
N -1.601045 -0.229307 -0.254284
N 2.050500 0.783472 0.250437
C -0.299097 0.419343 -0.554455
C 0.738977 0.166460 0.563353
C -2.776891 0.545240 -0.723430
C -1.638272 -1.657561 -0.659625
C 3.222151 0.009608 0.726704
C 2.127486 2.230046 0.566349
C -3.088716 1.754091 0.184402
C -2.602244 -2.500688 0.202558
C 3.515159 -1.225761 -0.151598
C 2.886469 2.994856 -0.527022
C -4.294752 2.554563 -0.315058
C -2.638194 -3.966606 -0.238619
C 4.698496 -2.043011 0.373944
H -0.459489 1.509101 -0.651119
H 0.134157 0.075136 -1.523582
H 0.313951 0.530947 1.527466
H 0.881615 -0.924054 0.676687
H -3.653079 -0.130407 -0.724391
H -2.644260 0.891969 -1.781728
H -0.615770 -2.068210 -0.551843
H -1.905584 -1.768184 -1.743389
H 3.097786 -0.308649 1.794144
H 4.103564 0.679844 0.704121
H 2.619448 2.426405 1.547056
H 1.107291 2.647785 0.637493
H -2.219730 2.436695 0.238655
H -3.283742 1.395082 1.210642
H -3.631355 -2.098375 0.147164
H -2.289386 -2.440899 1.260331
H 3.724218 -0.896581 -1.185447
H 2.630228 -1.888346 -0.195822
H 2.329514 2.917252 -1.483431
H 3.896324 2.554378 -0.672870
H -4.110745 2.919891 -1.350253
H -5.202610 1.911215 -0.329229
H -2.946843 -4.038977 -1.305521
H -1.628469 -4.423119 -0.137569
H 5.620520 -1.420151 0.386523
H 4.496170 -2.385662 1.413115
H 3.421877 4.939771 -0.763973
H -5.254118 4.222525 0.333475
H -3.647489 -5.611355 0.392192
H 5.621842 -3.747687 -0.229991


