%chk=000054579.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054579

0 1
 O   -3.301800       1.733900      0.6834000    
 O    3.810900      -1.363500      -1.782500    
 O   -3.884200     -0.6849000      -2.043900    
 N   -3.437100      -3.784400     -0.4273000    
 C   -1.927800       1.432900      0.4191000    
 C   -1.317000      0.3008000       1.256800    
 C   2.2600001E-02 -0.1246000      0.5347000    
 C   0.9577000       1.106100      0.2667000    
 C   -3.022100       1.100100     -0.5824000    
 C    2.213600      0.6201000     -0.4671000    
 C    3.015700     -0.4330000      0.3332000    
 C   -1.063700       2.628500      0.1521000    
 C   0.2230000       2.191300     -0.5406000    
 C   0.7834000      -1.285700       1.226700    
 C    2.104300      -1.656300      0.5268000    
 C   -2.324800     -0.8931000       1.362200    
 C    4.227600     -0.6245000     -0.6259000    
 C    3.270600       1.645300     -0.8704000    
 C   -1.062700      0.7935000       2.699800    
 C    4.558300      0.8203000      -1.077800    
 C   -3.285500     -0.3302000     -0.8426000    
 C   -3.300500       2.034300      -1.718700    
 C   -2.962800      -1.287700      5.0900001E-02
 C    3.492200      7.5800002E-02   1.720400    
 C    5.434600      -1.350900     -4.1099999E-02
 C   -3.224400      -2.664200     -0.2128000    
 H  -0.2604000     -0.5071000     -0.4584000    
 H    1.254100       1.557600       1.218900    
 H    1.862100      0.1600000      -1.405000    
 H  -0.8175000       3.117300       1.102300    
 H   -1.549300       3.403500     -0.4459000    
 H  -1.1600000E-02   1.811200      -1.542900    
 H   0.8688000       3.067000     -0.6725000    
 H   0.1613000      -2.186700       1.238000    
 H   0.9858000      -1.039700       2.273500    
 H    2.620500      -2.431800       1.105200    
 H    1.847900      -2.109600     -0.4383000    
 H   -3.144500     -0.6252000       2.045400    
 H   -1.840600      -1.758300       1.828100    
 H    3.422600       2.395100     -8.5800000E-02
 H    2.991900       2.178000      -1.785500    
 H  -0.3140000       1.588200       2.750900    
 H   -1.981500       1.200600       3.138500    
 H  -0.7264000     -2.1000000E-02   3.349500    
 H    4.862800      0.8511000      -2.130000    
 H    5.364500       1.261200     -0.4805000    
 H   -3.389000       3.078800      -1.401700    
 H   -2.513200       1.968200      -2.477000    
 H   -4.256100       1.798700      -2.201300    
 H    4.180900      0.9227000       1.643200    
 H    2.669100      0.3987000       2.362800    
 H    4.015300     -0.7200000       2.262900    
 H    6.195900      -1.511600     -0.8132000    
 H    5.901400     -0.7956000      0.7778000    
 H    5.152100      -2.342400      0.3293000    
 H    3.740800      -2.301100      -1.535300    
 H   -4.003500      -1.645700      -2.100800    


%chk=000054579-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054579

0 1
O -3.456253 1.642569 0.640740
O 3.741458 -1.305359 -1.905323
O -3.801337 -0.714145 -2.100042
N -3.417522 -3.870596 -0.377757
C -1.973871 1.436217 0.420500
C -1.333226 0.321842 1.287414
C 0.013795 -0.085042 0.571418
C 0.950154 1.150814 0.336921
C -2.946898 1.057609 -0.689703
C 2.208614 0.675455 -0.415479
C 3.007584 -0.434335 0.338347
C -1.109181 2.679206 0.262445
C 0.217030 2.278093 -0.428965
C 0.770098 -1.245370 1.277584
C 2.074236 -1.652777 0.536384
C -2.328135 -0.877307 1.417100
C 4.216099 -0.629068 -0.659007
C 3.293732 1.707963 -0.809427
C -1.112977 0.847305 2.734635
C 4.550940 0.826889 -1.117758
C -3.226300 -0.400900 -0.871151
C -3.208038 1.930175 -1.903031
C -2.906323 -1.336188 0.089979
C 3.553247 0.045451 1.711613
C 5.422358 -1.415470 -0.121701
C -3.183013 -2.713343 -0.154425
H -0.267027 -0.455396 -0.441216
H 1.254508 1.564212 1.322429
H 1.866271 0.202345 -1.361885
H -0.902522 3.113192 1.259194
H -1.636328 3.456568 -0.314111
H 0.004290 1.940361 -1.464812
H 0.875943 3.162765 -0.510373
H 0.118638 -2.137474 1.334770
H 1.008429 -0.962592 2.321038
H 2.579160 -2.460838 1.104504
H 1.792522 -2.064571 -0.454287
H -3.159237 -0.551477 2.070817
H -1.832385 -1.720662 1.925527
H 3.493384 2.406182 0.026816
H 2.996755 2.318307 -1.680045
H -0.293246 1.581282 2.806294
H -2.036899 1.328808 3.104103
H -0.873895 0.013072 3.418402
H 4.776280 0.797575 -2.197285
H 5.451299 1.201968 -0.599391
H -3.073559 2.993418 -1.657232
H -2.534642 1.660466 -2.736054
H -4.242281 1.783590 -2.255685
H 4.276538 0.873700 1.607279
H 2.745411 0.399792 2.374457
H 4.063456 -0.783254 2.235841
H 6.182020 -1.511264 -0.918073
H 5.895304 -0.917130 0.741768
H 5.130666 -2.436408 0.196283
H 3.579792 -2.261765 -1.698287
H -3.964618 -1.692459 -2.180199


