%chk=000097575.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097575

0 1
 O  -0.7441000      -4.397400      0.9171000    
 O    2.505300     -0.3438000       2.439400    
 O   -4.488800       2.947900      -1.064800    
 O   -4.755800       2.895000       1.191900    
 N   -1.186800      -2.308400     -6.8800002E-02
 N    1.374700      -1.111000      0.1447000    
 N    3.754000       1.452100     -0.9070000    
 N    2.235300      0.1337000      -2.220200    
 N    3.889000       1.208100       1.458800    
 N    5.226000       2.741400      0.2921000    
 C  -0.1909000      -2.487100      -1.095900    
 C   0.8613000      -1.434500      -1.056400    
 C   -1.989100      -1.095500     -8.8999998E-03
 C    2.324100     -0.1537000      0.1300000    
 C    2.763100      0.4732000      -1.024800    
 C    1.283600     -0.8237000      -2.216800    
 C   -2.423300     -0.6783000       1.216900    
 C   -2.255500     -0.4498000      -1.182300    
 C   -3.490100       1.181400      0.1031000    
 C   -3.190300      0.4852000       1.274100    
 C   -3.022700      0.7138000      -1.125000    
 C   -1.362300      -3.336200      0.8725000    
 C    2.911900      0.2289000       1.433000    
 C    4.262500       1.764800      0.3345000    
 C   -4.291100       2.393800      0.1628000    
 H  -0.6918000      -2.542100      -2.069300    
 H   0.3137000      -3.453700     -0.9793000    
 H   0.8778000      -1.077000      -3.189300    
 H   -2.172100      -1.166100       2.151700    
 H   -1.928800     -0.7951000      -2.155600    
 H   -3.536700      0.8389000       2.241800    
 H   -3.236800       1.222000      -2.061100    
 H    4.073800       1.909400      -1.751600    
 H   -2.180400      -3.154100       1.583100    
 H    5.682200       3.065300       1.138000    
 H    5.509000       3.167900     -0.5834000    
 H   -5.029300       3.765000      -1.013600    


%chk=000097575-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097575

0 1
O -0.053084 -3.924075 0.492765
O 1.435635 0.937677 2.198289
O -5.790926 2.417483 -0.507261
O -4.777286 3.037121 1.487691
N -1.174367 -2.085251 -0.428119
N 1.074605 -0.602879 -0.195291
N 4.404522 0.872738 -0.661893
N 3.162312 -0.507443 -2.124332
N 3.579537 1.577937 1.498113
N 5.699115 2.229073 0.779437
C -0.293482 -2.104027 -1.606399
C 0.972821 -1.274510 -1.372608
C -2.072722 -0.978839 -0.211243
C 2.201535 0.119929 0.043710
C 3.243369 0.147922 -0.930622
C 2.019390 -1.213230 -2.337536
C -1.922540 -0.150736 0.931597
C -3.113457 -0.732294 -1.143086
C -3.881498 1.146458 0.222446
C -2.834460 0.899690 1.148258
C -4.011094 0.329845 -0.932058
C -0.918089 -3.011309 0.584220
C 2.349828 0.897129 1.331481
C 4.522143 1.550984 0.560284
C -4.812405 2.271533 0.493982
H -0.841943 -1.723035 -2.486419
H -0.006872 -3.154503 -1.798717
H 1.947387 -1.743235 -3.293261
H -1.059352 -0.287358 1.590283
H -3.233409 -1.390855 -2.010575
H -2.731825 1.556137 2.018076
H -4.823198 0.525921 -1.637170
H 5.135251 0.868605 -1.379280
H -1.580918 -2.877848 1.463867
H 5.774847 2.721295 1.667357
H 6.470771 2.253415 0.117967
H -6.379543 3.180835 -0.262552


