%chk=000158978.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158978

0 1
 O   -4.273200       3.010500     -0.4718000    
 O    4.759100       1.017400       1.307500    
 O    6.286500      0.8914000      -1.012300    
 N   -2.275400       1.107300      6.2399998E-02
 N   -1.637800      -1.146300      0.3484000    
 N   2.1900000E-02  0.5754000      0.1518000    
 N    2.291600     -5.5999998E-03  0.2506000    
 N   0.6926000      -1.709900      0.4439000    
 C   -3.546100      0.6979000     -0.5512000    
 C   -1.924400       2.520900     -0.1123000    
 C   -4.648600       1.671400     -0.1504000    
 C   -3.113600       3.397400      0.2647000    
 C   -1.265200      0.1485000      0.1909000    
 C  -0.6161000      -2.009500      0.4670000    
 C  -0.9708000      -3.446700      0.6441000    
 C    2.700400       1.354200      8.5800000E-02
 C   0.9361000     -0.3991000      0.2832000    
 C    4.223900       1.477300      6.5899998E-02
 C   -1.095200      -4.184900     -0.6963000    
 C    4.877500      0.6897000      -1.065500    
 C   -1.423200      -5.657400     -0.5066000    
 H   -3.425000      0.6974000      -1.641400    
 H   -3.853400     -0.3072000     -0.2420000    
 H   -1.075200       2.807500      0.5188000    
 H   -1.649700       2.691300      -1.160400    
 H   -4.872600       1.602900      0.9212000    
 H   -5.568300       1.439700     -0.6968000    
 H   -2.896700       4.443400      2.6200000E-02
 H   -3.328200       3.339500       1.338800    
 H  -0.2080000      -3.933100       1.264700    
 H   -1.915500      -3.522600       1.196800    
 H    2.312400       1.950200      0.9209000    
 H    2.293700       1.767100     -0.8451000    
 H    4.501100       2.534400     -1.5900001E-02
 H    2.970600     -0.7488000      0.3627000    
 H  -0.1579000      -4.096100      -1.259200    
 H   -1.876200      -3.716800      -1.307800    
 H    4.714000     -0.3870000     -0.9652000    
 H    4.512700       1.011800      -2.045600    
 H  -0.6405000      -6.162000      6.8700001E-02
 H   -2.373400      -5.781500      2.2399999E-02
 H   -1.506600      -6.155700      -1.477500    
 H    4.549800      7.2499998E-02   1.396200    
 H    6.451000       1.841700      -1.136700    


%chk=000158978-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158978

0 1
O -4.181348 3.118573 -0.329763
O 4.950666 0.369359 0.952216
O 5.277593 0.611470 -1.793207
N -2.117963 1.134628 -0.501135
N -1.659961 -1.098267 0.104762
N 0.047308 0.639429 0.291832
N 2.166591 0.001453 1.112435
N 0.551015 -1.669873 0.925636
C -3.505823 0.781235 -0.860402
C -1.779210 2.560372 -0.666885
C -4.480732 1.693214 -0.090599
C -2.803845 3.425079 0.095601
C -1.219166 0.205810 -0.023152
C -0.730519 -1.984492 0.575978
C -1.137851 -3.434845 0.673487
C 2.742796 1.340405 1.011999
C 0.885136 -0.335786 0.763487
C 4.075206 1.313801 0.241403
C -0.726927 -4.225408 -0.601986
C 3.932927 0.865799 -1.225062
C -1.128212 -5.712740 -0.517406
H -3.647724 0.929112 -1.950391
H -3.663023 -0.281234 -0.616195
H -0.757280 2.719962 -0.288478
H -1.812463 2.819122 -1.745033
H -4.420098 1.475573 0.997636
H -5.516480 1.550058 -0.439521
H -2.660475 4.495736 -0.125140
H -2.700879 3.253058 1.189071
H -0.644072 -3.886851 1.552442
H -2.232822 -3.491157 0.804954
H 2.941256 1.751639 2.021200
H 2.006692 1.992512 0.512607
H 4.522244 2.334107 0.274889
H 2.769053 -0.753813 1.447460
H 0.367917 -4.134710 -0.737162
H -1.203108 -3.754969 -1.484266
H 3.420913 -0.107562 -1.279507
H 3.372359 1.612136 -1.822165
H -0.644813 -6.205461 0.347071
H -2.222677 -5.824213 -0.400146
H -0.828072 -6.259620 -1.430119
H 5.645623 0.082327 0.298743
H 5.708347 1.473534 -2.023590


