%chk=000056146.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056146

0 1
 O    4.757000       1.946700      2.9899999E-02
 O    5.367800     -0.1053000     -0.7277000    
 N   -2.184900     -0.2688000      0.2910000    
 N    1.299800      -1.096400      0.5672000    
 C   -2.907100      0.8508000      0.9383000    
 C   -3.456200       1.820800     -0.1273000    
 C   -3.059000     -0.9936000     -0.6484000    
 C   -4.340400       1.108900      -1.143000    
 C   -3.600200     -7.6499999E-02  -1.742600    
 C   -1.632300      -1.217300       1.262300    
 C  -0.8546000      -2.319100      0.5405000    
 C   -2.017700       1.651500       1.900200    
 C   0.3254000      -1.782400     -0.2726000    
 C    2.406100     -0.5865000     -0.2305000    
 C    3.426400      7.6399997E-02  0.6983000    
 C    1.853000      0.3890000      -1.268400    
 C    4.617000      0.6019000     -6.7199998E-02
 H   -3.755900      0.4556000       1.513800    
 H   -4.037300       2.617200      0.3535000    
 H   -2.624000       2.308600     -0.6526000    
 H   -2.529200      -1.774300      -1.198700    
 H   -3.894300      -1.469700     -0.1179000    
 H   -5.258000      0.7618000     -0.6526000    
 H   -4.640400       1.804900      -1.934000    
 H   -2.772200      0.2839000      -2.366400    
 H   -4.274300     -0.6383000      -2.399300    
 H   -2.429200      -1.671700       1.865100    
 H  -0.9505000     -0.7218000       1.960000    
 H  -0.4542000      -2.989900       1.314700    
 H   -1.483200      -2.976500     -6.7199998E-02
 H   -1.083500       1.959500       1.417300    
 H   -1.770300       1.078300       2.799000    
 H   -2.531800       2.557800       2.239700    
 H  -8.7300003E-02  -1.144000      -1.057000    
 H   0.8068000      -2.633800     -0.7703000    
 H    1.649400      -1.736000       1.280200    
 H    2.905200      -1.411600     -0.7556000    
 H    3.805400     -0.6292000       1.447700    
 H    2.963800      0.9042000       1.250900    
 H    1.165500       1.116300     -0.8206000    
 H    1.341100     -0.1190000      -2.091900    
 H    2.656700      0.9616000      -1.743800    
 H    5.526800       2.272900     -0.4832000    


%chk=000056146-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056146

0 1
O 5.580523 1.221608 1.235114
O 5.269233 0.457763 -0.932310
N -2.414619 -0.431315 0.185536
N 1.366894 -1.010510 0.401031
C -2.840257 0.897011 0.737625
C -3.528231 1.719629 -0.383778
C -3.577440 -1.180728 -0.362688
C -4.718046 0.973601 -1.022214
C -4.262891 -0.416991 -1.510192
C -1.628271 -1.271692 1.128663
C -0.751141 -2.320031 0.402775
C -1.655045 1.702365 1.312707
C 0.351930 -1.670752 -0.457931
C 2.501350 -0.357329 -0.308652
C 3.492193 0.124983 0.774891
C 2.011050 0.823484 -1.172676
C 4.825424 0.592604 0.229247
H -3.596973 0.742671 1.556020
H -3.864502 2.685239 0.041802
H -2.768123 1.942692 -1.159302
H -3.224298 -2.161270 -0.729255
H -4.333760 -1.385624 0.442971
H -5.524991 0.852258 -0.269591
H -5.141967 1.564672 -1.856494
H -3.543653 -0.303630 -2.344440
H -5.123698 -1.005257 -1.883578
H -2.293663 -1.789603 1.866343
H -0.942703 -0.621946 1.693816
H -0.293430 -2.986358 1.165118
H -1.369823 -2.971409 -0.243817
H -0.805283 1.681668 0.606452
H -1.301942 1.322035 2.286709
H -1.963258 2.753295 1.462698
H -0.131539 -0.908871 -1.094173
H 0.806953 -2.439604 -1.131310
H 1.724938 -1.687090 1.094661
H 3.039659 -1.071326 -0.979979
H 3.710755 -0.692894 1.493768
H 3.038945 0.936979 1.372457
H 1.455267 1.545109 -0.545996
H 1.341671 0.482197 -1.980530
H 2.869803 1.330345 -1.644814
H 6.458157 1.498923 0.854117


