%chk=000042960.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042960

0 1
 O    3.536800       1.804900     -0.4143000    
 N   0.3302000      -1.436700     -0.1304000    
 N   0.5013000       2.079600      0.1583000    
 C  -0.2882000     -0.2169000     -2.3900000E-02
 C    1.945900      8.3200000E-02 -2.0800000E-02
 C    1.690100      -1.265700     -0.1301000    
 C   0.6957000      0.7468000      4.6200000E-02
 C   -1.725600     -9.8300003E-02 -9.9999997E-05
 C    2.600100      -2.423400     -0.2349000    
 C    3.260100      0.6620000      1.4100000E-02
 C   -2.431700      5.8400001E-02  -1.192900    
 C   -2.409600     -0.1397000       1.215000    
 C    4.421600     -0.1370000      0.6032000    
 C   -3.821600      0.1741000      -1.170600    
 C   -3.799600     -2.4100000E-02   1.237000    
 C   -4.505400      0.1328000      4.4199999E-02
 H  -0.1451000      -2.326600     -0.1986000    
 H    3.347200      -2.269900      -1.019100    
 H    3.104400      -2.620400      0.7152000    
 H    2.050900      -3.334400     -0.4996000    
 H   -1.913600      9.3000002E-02  -2.148400    
 H   -1.874100     -0.2612000       2.153600    
 H    1.269700       2.741900      0.2056000    
 H  -0.4234000       2.497300      0.2019000    
 H    4.102000     -0.6889000       1.490500    
 H    5.202500      0.5611000      0.9229000    
 H    4.846400     -0.8024000     -0.1503000    
 H   -4.371300      0.2964000      -2.099200    
 H   -4.332300     -5.6200001E-02   2.182900    
 H   -5.587600      0.2228000      6.1500002E-02


%chk=000042960-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042960

0 1
O 3.295054 1.832530 1.116421
N 0.357370 -1.366292 -0.415292
N 0.578637 1.948809 1.004102
C -0.319131 -0.210406 0.054244
C 1.989443 0.008799 0.302055
C 1.722410 -1.273806 -0.266611
C 0.696721 0.668901 0.501650
C -1.770856 -0.080965 -0.012897
C 2.612696 -2.421549 -0.657019
C 3.261658 0.644848 0.620622
C -2.538052 -0.809328 -0.974799
C -2.481305 0.766716 0.892096
C 4.581859 -0.078817 0.364437
C -3.941986 -0.695468 -1.027339
C -3.884119 0.888235 0.826080
C -4.627931 0.159454 -0.132284
H -0.128113 -2.205458 -0.730432
H 3.341663 -2.133414 -1.436243
H 3.191053 -2.806085 0.202915
H 2.015625 -3.260948 -1.057258
H -2.029584 -1.437263 -1.717878
H -1.936423 1.283250 1.690238
H 1.467432 2.420169 1.216980
H -0.305201 2.448652 0.975783
H 4.630303 -1.037155 0.913146
H 5.406808 0.569539 0.697639
H 4.712370 -0.302906 -0.710642
H -4.502550 -1.262289 -1.779805
H -4.402002 1.541073 1.538273
H -5.718051 0.253673 -0.179284


