%chk=000154325.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154325

0 1
 O    2.633300      0.4423000     -0.5251000    
 O    2.631600      1.7500000E-02   1.749400    
 N   -3.813000     -0.7340000      0.9873000    
 N   -2.812200       1.310600     -0.2557000    
 N    4.629400     -0.1616000      0.5722000    
 C   -2.145300     -0.9716000     -0.7174000    
 C   -3.346600     -6.1400000E-02 -0.2506000    
 C   -2.145000      -2.162700      0.2455000    
 C  -0.9705000     -4.6900000E-02 -0.5452000    
 C   -3.551300      -2.161800      0.8145000    
 C   -1.430600       1.250000     -0.2856000    
 C   -2.297700      -1.410400      -2.177200    
 C   -5.212500     -0.4684000       1.287900    
 C   0.3830000     -0.3410000     -0.6310000    
 C   -3.578900       2.462300      0.1428000    
 C  -0.5175000       2.279800     -0.1102000    
 C    1.297200      0.6950000     -0.4486000    
 C   0.8497000       1.997400     -0.1901000    
 C    3.258200      8.9800000E-02  0.6928000    
 C    5.362600     -7.6700002E-02 -0.6867000    
 C    5.410400     -0.5364000       1.742400    
 C    5.365700      -1.412000      -1.411400    
 H   -4.144300     -0.1173000      -1.005500    
 H   -1.418600      -2.027600       1.057800    
 H   -1.911300      -3.112300     -0.2475000    
 H   -4.250900      -2.623200      0.1061000    
 H   -3.598300      -2.706400       1.762800    
 H   -1.440500      -2.011700      -2.501100    
 H   -3.200800      -2.015000      -2.316100    
 H   -2.366500     -0.5485000      -2.851000    
 H   -5.375900      0.5983000       1.468800    
 H   -5.510500     -0.9899000       2.204400    
 H   -5.880900     -0.7886000      0.4808000    
 H   0.7205000      -1.351500     -0.8371000    
 H   -3.487000       2.636200       1.219700    
 H   -4.638600       2.321400     -9.3300000E-02
 H   -3.249200       3.361200     -0.3885000    
 H  -0.8421000       3.296200      8.9100003E-02
 H    1.568400       2.801500     -5.1500000E-02
 H    4.896100      0.6791000      -1.327000    
 H    6.386700      0.2559000     -0.4842000    
 H    5.876300      -1.509800       1.565700    
 H    4.787600     -0.6006000       2.638300    
 H    6.185700      0.2180000       1.905600    
 H    5.851700      -2.187900     -0.8114000    
 H    4.345400      -1.746700      -1.626000    
 H    5.904700      -1.327800      -2.360100    


%chk=000154325-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154325

0 1
O 2.803332 0.423856 -0.116783
O 2.798069 -1.498265 1.277250
N -4.328957 -0.440818 0.655920
N -2.750316 1.269772 -0.264815
N 4.787140 -0.592495 0.408719
C -2.115592 -1.067964 -0.215852
C -3.340193 -0.087461 -0.390620
C -2.381960 -1.690714 1.201444
C -0.907460 -0.137130 -0.203791
C -3.916171 -1.704873 1.319087
C -1.359059 1.217161 -0.157822
C -2.067326 -2.151589 -1.314601
C -5.749058 -0.369035 0.280248
C 0.454927 -0.452305 -0.165059
C -3.581289 2.460155 -0.208212
C -0.425397 2.275347 -0.040027
C 1.382684 0.616090 -0.060423
C 0.953698 1.956064 0.006206
C 3.418809 -0.642957 0.592837
C 5.457600 0.423069 -0.435468
C 5.614783 -1.654248 1.002025
C 5.516629 0.025654 -1.926700
H -3.814246 -0.172507 -1.399164
H -1.948674 -1.039248 1.979766
H -1.933787 -2.694344 1.299942
H -4.345975 -2.600426 0.804439
H -4.260678 -1.726741 2.369849
H -1.190836 -2.810098 -1.173873
H -2.973406 -2.786189 -1.293494
H -1.989644 -1.694761 -2.317595
H -5.989140 0.624050 -0.137473
H -6.376245 -0.511661 1.178938
H -6.049009 -1.142767 -0.470675
H 0.805187 -1.487000 -0.183117
H -4.090260 2.568207 0.771483
H -4.360838 2.424944 -0.996695
H -2.970493 3.361890 -0.385067
H -0.742251 3.321413 0.017388
H 1.704965 2.747869 0.089986
H 4.924671 1.380857 -0.326703
H 6.480870 0.555275 -0.034874
H 6.163607 -2.211807 0.218693
H 4.958155 -2.350889 1.544592
H 6.348551 -1.224998 1.710574
H 6.034054 -0.940824 -2.067656
H 4.496190 -0.057885 -2.337617
H 6.062038 0.793127 -2.506409


