%chk=000053868.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053868

0 1
 O    1.604000     -0.5991000      -1.294400    
 O   -4.823200     -0.1942000     -0.4891000    
 N    4.011300     -0.1786000     -1.3400000E-02
 N   0.5752000      0.8390000      0.2501000    
 C    2.960200      0.8322000      9.6000001E-02
 C    5.295500      0.3705000      0.4203000    
 C    3.667800      -1.360700      0.7761000    
 C    1.651200      0.2578000     -0.4177000    
 C    5.698000       1.563500     -0.4300000    
 C    4.749800      -2.422400      0.6741000    
 C  -0.8024000      0.5749000      6.1799999E-02
 C   -1.733600       1.258000      0.8261000    
 C   -1.189900     -0.3609000     -0.8829000    
 C   -3.498400      5.8499999E-02 -0.3069000    
 C   -3.091400      0.9979000      0.6405000    
 C   -2.547700     -0.6208000      -1.068500    
 C   -5.676800     -3.3300001E-02  0.6429000    
 C   -6.849500     -0.9821000      0.5150000    
 H    2.856500       1.185100       1.129600    
 H    3.150700       1.698200     -0.5468000    
 H    6.099000     -0.3605000      0.2851000    
 H    5.283600      0.6567000       1.479600    
 H    2.744900      -1.832600      0.4256000    
 H    3.512300      -1.106800       1.832900    
 H    5.599200       1.351400      -1.500200    
 H    5.120900       2.461900     -0.1906000    
 H    6.749300       1.809900     -0.2423000    
 H    5.049300      -2.600800     -0.3644000    
 H    5.636400      -2.178700       1.267600    
 H    4.367600      -3.371200       1.068300    
 H   0.7810000       1.543700      0.9549000    
 H   -1.427000       1.995900       1.562300    
 H  -0.5173000     -0.9266000      -1.510200    
 H   -3.799400       1.568500       1.234100    
 H   -2.860400      -1.353500      -1.807900    
 H   -5.160600     -0.2734000       1.580900    
 H   -6.038500       1.000300      0.6769000    
 H   -6.502700      -2.019600      0.4658000    
 H   -7.403300     -0.7879000     -0.4095000    
 H   -7.532000     -0.8778000       1.363100    


%chk=000053868-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053868

0 1
O 1.650657 -0.437123 -1.324171
O -4.896602 -0.551610 -0.351782
N 4.154392 -0.031607 0.189006
N 0.588479 0.604143 0.494271
C 3.014171 0.886486 0.264669
C 5.464631 0.652254 0.320678
C 3.998955 -1.219866 1.067482
C 1.703362 0.264848 -0.274998
C 5.816510 1.538665 -0.890027
C 4.862360 -2.416084 0.624893
C -0.786454 0.302815 0.260234
C -1.738942 0.798191 1.185264
C -1.234671 -0.467870 -0.849726
C -3.556200 -0.227415 -0.083816
C -3.116472 0.540054 1.023571
C -2.606983 -0.723775 -1.011279
C -5.922263 -0.060441 0.587411
C -7.270565 -0.548408 0.063664
H 2.840710 1.278616 1.307635
H 3.228042 1.768074 -0.368220
H 6.236051 -0.132615 0.409238
H 5.521008 1.259038 1.263262
H 2.938647 -1.529053 1.017746
H 4.213033 -0.968283 2.139428
H 5.743512 0.949667 -1.820244
H 5.148393 2.413985 -0.985224
H 6.848359 1.923790 -0.791887
H 4.640173 -2.662724 -0.427129
H 5.944929 -2.213497 0.713530
H 4.638705 -3.298864 1.252202
H 0.781415 1.148495 1.339366
H -1.406995 1.395464 2.044869
H -0.503212 -0.852202 -1.562502
H -3.822941 0.938500 1.757000
H -2.966230 -1.314667 -1.859452
H -5.716601 -0.459972 1.602506
H -5.885279 1.048230 0.629938
H -7.293559 -1.650451 0.016755
H -7.459038 -0.154491 -0.949498
H -8.083885 -0.207898 0.730138


