%chk=000157784.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157784

0 1
 O    2.830200      -3.168400      -1.070200    
 O   0.9470000       2.440300       1.111300    
 O    1.832800       2.933100     -0.9646000    
 O   -5.959900      -1.030600      0.7777000    
 N    1.841600      -1.589100      0.4343000    
 N   -1.234400       1.052100      -1.047600    
 C    2.045900     -0.1413000      0.6112000    
 C    1.180900      0.6681000     -0.4152000    
 C    2.655300     -0.8662000      -1.783100    
 C    3.564700      0.1172000      0.3412000    
 C    1.659200      0.3082000      -1.848700    
 C    3.932100     -0.3886000      -1.068600    
 C    2.008300      -2.008600     -0.9651000    
 C  -0.3051000      0.4157000     -0.2560000    
 C   0.7132000      -2.213400       1.124100    
 C    4.467200     -0.5121000       1.406900    
 C    1.369300       2.145300     -0.1512000    
 C   -1.002500     -0.4235000      0.6015000    
 C  -0.3975000      -1.296200       1.651000    
 C   -2.396900     -0.2802000      0.3035000    
 C    5.900100     -0.1578000       1.189600    
 C   -2.507200      0.6466000     -0.7318000    
 C   -3.580100     -0.8518000      0.8193000    
 C   -3.735900       1.030400      -1.281400    
 C    1.069900       3.813300       1.495600    
 C   -4.817100     -0.4790000      0.2811000    
 C   -4.891400      0.4486000     -0.7547000    
 C   -7.189700     -0.6119000      0.1897000    
 H    1.848000      0.1578000       1.647400    
 H    2.914000      -1.210200      -2.791200    
 H    3.741900       1.200500      0.3716000    
 H    2.141400       1.140900      -2.372300    
 H   0.8192000      6.3999998E-03  -2.487800    
 H    4.649200      -1.216400      -1.040600    
 H    4.405900      0.4190000      -1.640000    
 H    1.043900      -2.250300      -1.430200    
 H    1.126700      -2.750900       1.987000    
 H   0.2556000      -2.992100      0.4993000    
 H    4.362400      -1.603200       1.418700    
 H    4.157000     -0.1559000       2.396800    
 H  -2.3100000E-02 -0.6678000       2.468300    
 H   -1.170800      -1.930300       2.101500    
 H   -1.009900       1.722700      -1.769600    
 H    2.469400      -3.824800     -0.4508000    
 H    6.310900     -0.5873000      0.2717000    
 H    6.043700      0.9272000       1.149500    
 H    6.509800     -0.5363000       2.017400    
 H   -3.536100      -1.576800       1.627600    
 H   -3.792300       1.754400      -2.087600    
 H   0.7005000       3.913700       2.519600    
 H   0.4640000       4.445400      0.8396000    
 H    2.119600       4.121000       1.468900    
 H   -5.823700      0.7716000      -1.206800    
 H   -7.369600      0.4569000      0.3484000    
 H   -7.992900      -1.149200      0.7047000    
 H   -7.247200     -0.8914000     -0.8678000    


%chk=000157784-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157784

0 1
O 3.205016 -3.100218 -1.008877
O 1.509812 2.539734 1.064063
O 1.207543 3.049448 -1.180534
O -6.006418 -1.104610 0.811770
N 1.728446 -1.610916 0.300792
N -1.252575 1.131703 -1.068751
C 1.999939 -0.184453 0.568318
C 1.153095 0.669807 -0.456001
C 2.700291 -0.864796 -1.804412
C 3.516922 0.119880 0.389448
C 1.616602 0.236578 -1.905245
C 3.940879 -0.323765 -1.051466
C 2.127851 -2.064228 -1.019872
C -0.338203 0.416257 -0.270228
C 0.655851 -2.330930 1.015612
C 4.360237 -0.553430 1.498772
C 1.316348 2.190817 -0.268891
C -1.043661 -0.462554 0.563654
C -0.465853 -1.416555 1.580702
C -2.454341 -0.280239 0.263253
C 5.837968 -0.106399 1.489847
C -2.555835 0.729128 -0.760871
C -3.635766 -0.874823 0.768105
C -3.798427 1.146411 -1.273415
C 1.549914 3.995474 1.352316
C -4.880301 -0.458279 0.251527
C -4.968322 0.545269 -0.761029
C -7.324961 -0.709354 0.322654
H 1.700326 0.064776 1.598033
H 2.980921 -1.210612 -2.815135
H 3.641902 1.216168 0.498815
H 2.016567 1.108614 -2.452395
H 0.747962 -0.136666 -2.477421
H 4.697341 -1.125210 -0.999717
H 4.380268 0.516772 -1.620208
H 1.255318 -2.512712 -1.550494
H 1.061673 -2.930405 1.859829
H 0.202343 -3.044974 0.296115
H 4.294106 -1.650952 1.373668
H 3.917222 -0.314092 2.487963
H -0.078529 -0.867219 2.461940
H -1.265633 -2.074532 1.970748
H -0.980507 1.868295 -1.720203
H 2.934345 -3.814323 -0.377215
H 6.325825 -0.345283 0.526895
H 5.925362 0.985695 1.649147
H 6.412670 -0.610972 2.288221
H -3.619372 -1.643597 1.546825
H -3.869806 1.914558 -2.051126
H 1.718358 4.060778 2.436014
H 0.592390 4.462810 1.068281
H 2.369178 4.473074 0.789563
H -5.940941 0.857941 -1.151311
H -7.527204 0.363128 0.515896
H -8.038770 -1.325770 0.889671
H -7.437864 -0.915448 -0.760539


