%chk=000040047.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040047

0 1
 O   -1.194100      0.6547000     -6.1600000E-02
 O   -2.466300       2.551000      0.2294000    
 O   -6.686400      -2.074100     -0.1085000    
 N    3.633500      0.3631000     -0.3758000    
 N    6.142000     -0.8306000      0.4246000    
 N   -5.687800      -1.284700     -6.5200001E-02
 C    3.697400     -0.6173000      0.7149000    
 C    4.895800       1.106500     -0.4707000    
 C    4.879300      -1.573300      0.5200000    
 C    6.078400      0.1513000     -0.6648000    
 C    2.506800       1.275000     -0.1888000    
 C    1.192200      0.5015000     -0.1996000    
 C    7.267900      -1.743300      0.2358000    
 C  -3.3000000E-03   1.429100     -2.8600000E-02
 C   -2.360500       1.343600      7.9499997E-02
 C   -3.525200      0.4241000      2.9200001E-02
 C   -4.661400      0.7490000      0.7333000    
 C   -3.432800     -0.7256000     -0.7205000    
 C   -5.745100     -0.1211000      0.6775000    
 C   -4.530500      -1.579100     -0.7600000    
 H    2.813100      -1.259800      0.7396000    
 H    3.777800     -0.1198000       1.690900    
 H    5.059000       1.718000      0.4272000    
 H    4.861200       1.789200      -1.328500    
 H    4.916300      -2.256200       1.377700    
 H    4.716300      -2.185000     -0.3779000    
 H    5.992000     -0.3494000      -1.638800    
 H    7.001000      0.7442000     -0.6835000    
 H    2.604100       1.840200      0.7473000    
 H    2.487000       2.004900      -1.008000    
 H    1.083500     -6.6699997E-02  -1.132400    
 H    1.124700     -0.2279000      0.6136000    
 H    8.212400      -1.188300      0.2106000    
 H    7.182800      -2.321300     -0.6915000    
 H    7.338300      -2.445100       1.074200    
 H  -2.5900001E-02   2.165100     -0.8410000    
 H   6.3500002E-02   1.956000      0.9307000    
 H   -4.732700       1.654400       1.327300    
 H   -2.547700     -0.9871000      -1.291100    
 H   -6.678700      4.4799998E-02   1.195000    
 H   -4.556900      -2.501800      -1.321200    


%chk=000040047-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040047

0 1
O -1.248066 0.622208 -0.037853
O -2.487869 2.463340 0.696634
O -7.023100 -1.942046 -0.450824
N 3.684115 0.323734 -0.222096
N 6.311047 -0.818376 0.262159
N -5.938925 -1.195158 -0.280964
C 3.917062 -0.640951 0.883314
C 4.927248 1.093852 -0.491424
C 5.076436 -1.589374 0.537402
C 6.083552 0.143226 -0.841122
C 2.523184 1.213217 0.022122
C 1.172387 0.477782 -0.124940
C 7.478246 -1.687385 0.022005
C -0.000601 1.424985 0.126625
C -2.441589 1.275502 0.284237
C -3.620523 0.400034 0.080466
C -4.914081 0.904785 0.381500
C -3.525117 -0.930898 -0.408023
C -6.046726 0.113893 0.201477
C -4.671662 -1.705013 -0.582086
H 3.003141 -1.239168 1.046737
H 4.159175 -0.108426 1.838455
H 5.228208 1.711513 0.392422
H 4.742292 1.776276 -1.342257
H 5.264213 -2.266085 1.392307
H 4.777568 -2.216575 -0.341834
H 5.840892 -0.380929 -1.801377
H 7.007897 0.731023 -0.996406
H 2.579645 1.697944 1.033132
H 2.566884 2.030468 -0.724681
H 1.107201 0.051849 -1.142049
H 1.104249 -0.363036 0.589405
H 8.382426 -1.066799 -0.113679
H 7.367941 -2.339560 -0.882027
H 7.641804 -2.341856 0.897116
H -0.031455 2.262598 -0.595459
H 0.010194 1.851500 1.146934
H -5.018550 1.926184 0.758644
H -2.549013 -1.356207 -0.651898
H -7.068826 0.430735 0.410614
H -4.679905 -2.730606 -0.952407


