%chk=000170012.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170012

0 1
 O   -2.099200     -0.4164000     -0.4891000    
 O    1.983400       1.241000       2.005900    
 O    1.385600     -0.8048000     -0.7842000    
 O  -0.3160000      -2.253700     -0.3358000    
 O   -5.366700      0.2567000      -2.283400    
 N   0.7398000       1.848100      0.1383000    
 N   -4.352200      5.4200001E-02 -0.2208000    
 N    4.914400       2.888100      -1.069400    
 N    6.155700      -1.095100     -1.0200000E-02
 N   -6.633900     -0.6170000     -0.6153000    
 N    4.410800      -2.551800     -0.6513000    
 N    6.093900      -3.411400      0.6792000    
 N   -7.927500      -1.510000       1.098600    
 C  -0.4484000       1.092800      0.4590000    
 C  -0.7774000      9.3599997E-02 -0.6554000    
 C    3.907800       1.952200     -0.5603000    
 C   -3.092800      0.5972000     -0.6551000    
 C    2.982900       2.719800      0.3982000    
 C   -1.583600       2.052900      0.6729000    
 C    4.585200      0.7599000      0.1443000    
 C   -2.795200       1.831400      0.1445000    
 C    1.862900       1.855900      0.9483000    
 C    5.574000      4.1000000E-03 -0.7454000    
 C   8.5800000E-02  -1.123600     -0.5694000    
 C   -4.484400     -0.3395000       1.100800    
 C   -5.451900     -8.5800000E-02  -1.102700    
 C    7.413900     -0.8164000      0.6956000    
 C    5.589900      -2.386900      3.9200000E-02
 C   -5.612700     -0.8513000       1.588900    
 C   -6.743900     -0.9845000      0.6344000    
 H  -0.2953000      0.5591000       1.405600    
 H  -0.6802000      0.5172000      -1.663800    
 H    3.318700       1.575900      -1.405800    
 H   -3.140400      0.8632000      -1.717100    
 H    2.541100       3.587600     -0.1088000    
 H    3.546900       3.115200       1.253000    
 H   -1.415000       2.947500       1.265500    
 H    3.819400      5.7599999E-02  0.4927000    
 H    5.105600       1.113400       1.044900    
 H   0.7374000       2.404600     -0.7121000    
 H   -3.580600       2.568000      0.2906000    
 H    6.379600      0.6754000      -1.066400    
 H    5.103000     -0.3182000      -1.680300    
 H    5.436100       2.455800      -1.830200    
 H    4.451900       3.699500      -1.478400    
 H   -3.617900     -0.2277000       1.743800    
 H    7.609200      0.2584000      0.7739000    
 H    7.378100      -1.216100       1.714300    
 H    8.248900      -1.280600      0.1619000    
 H   -5.722700      -1.165600       2.618200    
 H    1.961700      -1.595200     -0.7194000    
 H    3.945900      -1.805300      -1.150200    
 H    3.942500      -3.451800     -0.6651000    
 H    5.476800      -4.219600      0.5447000    
 H   -8.725800      -1.619200      0.4824000    
 H   -8.044000      -1.804300       2.062700    


%chk=000170012-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170012

0 1
O -1.776000 -0.336929 -0.395839
O 2.101648 1.489673 1.980172
O 1.768612 -0.364705 -0.969824
O 0.425548 -1.849042 0.203688
O -5.378252 1.128989 -1.639689
N 0.830454 2.329312 0.226645
N -4.108436 -0.192346 -0.185697
N 5.093153 3.059987 -1.169598
N 5.578561 -1.385869 -0.172358
N -6.509314 -0.484909 -0.345260
N 3.416671 -2.339990 -0.587742
N 4.774414 -2.962013 1.385305
N -7.581862 -2.055444 0.982563
C -0.335350 1.483226 0.517658
C -0.482598 0.332215 -0.542323
C 4.052886 2.176289 -0.597098
C -2.911854 0.537774 -0.685389
C 3.194355 3.023919 0.397804
C -1.611130 2.307667 0.536422
C 4.716491 0.975752 0.115426
C -2.774000 1.898412 -0.025804
C 2.013608 2.230376 0.952783
C 5.216108 -0.120854 -0.863735
C 0.590463 -0.750504 -0.387205
C -4.019876 -1.159074 0.790493
C -5.388299 0.197689 -0.779230
C 6.843960 -1.367106 0.590271
C 4.600229 -2.268918 0.285113
C -5.157170 -1.809619 1.232154
C -6.409618 -1.435515 0.612690
H -0.137170 1.037803 1.512584
H -0.390398 0.778518 -1.555825
H 3.356824 1.768649 -1.369814
H -3.058403 0.658019 -1.778915
H 2.847155 3.938390 -0.123968
H 3.840913 3.334661 1.235197
H -1.542143 3.284595 1.031388
H 3.979863 0.520464 0.800468
H 5.549906 1.352233 0.738716
H 0.805715 2.912801 -0.612020
H -3.667983 2.529414 -0.048194
H 6.114777 0.209831 -1.419038
H 4.432443 -0.318857 -1.616291
H 5.868870 2.570035 -1.623853
H 4.736670 3.832713 -1.740398
H -3.015201 -1.385313 1.153867
H 7.604169 -0.829131 -0.002688
H 6.730170 -0.879558 1.577723
H 7.173649 -2.401128 0.774050
H -5.091413 -2.583885 1.998701
H 2.536518 -1.105891 -0.783745
H 3.655725 -2.662122 -1.538098
H 2.672257 -2.924548 -0.173647
H 4.049510 -3.682989 1.551706
H -8.439822 -1.764406 0.516579
H -7.604904 -2.784243 1.690020


