%chk=000150343.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150343

0 1
 O  -0.9094000       2.976400       1.849700    
 N    5.520600     -0.7844000     -0.5726000    
 N   0.1444000       3.045000     -0.2147000    
 N  -0.8409000     -0.1342000      0.6059000    
 N   -3.966000      -2.380300      -1.054800    
 C    2.882500       1.957800     -0.4255000    
 C    3.991700       1.023000      6.1900001E-02
 C    2.425500       2.905100      0.6839000    
 C    4.471200      0.1031000      -1.059700    
 C    1.294700       3.810200      0.2097000    
 C   -1.908200      0.4904000      7.1599998E-02
 C   -2.978200     -0.2221000     -0.4957000    
 C   -1.973800       1.881200      7.0400000E-02
 C  -0.8933000       2.675300      0.6454000    
 C   -2.906300      -1.618800     -0.4916000    
 C   -1.800600      -2.272400      6.1799999E-02
 C  -0.7766000      -1.479800      0.6072000    
 C    5.967800      -1.685900      -1.635800    
 C    5.050800      -1.553800      0.5810000    
 C   -4.077200      0.4611000      -1.045000    
 C   -3.064500       2.563300     -0.4746000    
 C   -4.118600       1.852100      -1.033600    
 C   -1.702000      -3.674600      7.9400003E-02
 C   0.3267000      -2.124800       1.159700    
 C  -0.5883000      -4.294900      0.6376000    
 C   0.4280000      -3.517900       1.178700    
 H    2.043100       1.348600     -0.7811000    
 H    3.242700       2.543000      -1.280500    
 H    3.571400      0.4581000      0.9006000    
 H    4.831400       1.614900      0.4472000    
 H    3.267600       3.524100       1.014400    
 H    2.091300       2.321200       1.550300    
 H    4.861600      0.7188000      -1.879600    
 H    3.621900     -0.4684000      -1.457400    
 H    1.616200       4.416800     -0.6433000    
 H   0.9979000       4.488600       1.016500    
 H   9.6900001E-02   2.760800      -1.189100    
 H    6.800400      -2.308200      -1.289200    
 H    5.164600      -2.345400      -1.984200    
 H    6.341400      -1.114400      -2.492900    
 H    4.992500     -0.9404000       1.485300    
 H    4.082800      -2.035600      0.4006000    
 H    5.770100      -2.344200      0.8297000    
 H   -4.927200     -4.1499998E-02  -1.494000    
 H   -3.099600       3.649800     -0.4668000    
 H   -4.968300       2.377800      -1.458300    
 H   -2.463900      -4.330500     -0.3281000    
 H    1.137200      -1.537600       1.588300    
 H   -3.945200      -3.388300      -1.068800    
 H   -4.776500      -1.940500      -1.462300    
 H  -0.5137000      -5.378000      0.6500000    
 H    1.302100      -3.991600       1.615900    


%chk=000150343-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150343

0 1
O -1.290053 4.314802 0.230360
N 5.898311 -0.860178 0.420576
N 0.050217 2.584372 -0.599312
N -0.999746 0.133454 -0.681862
N -4.348632 -2.408428 -0.014361
C 2.924290 1.491800 -0.464377
C 4.207146 1.021985 0.258070
C 2.478221 2.913377 -0.053823
C 4.600979 -0.413910 -0.143900
C 1.235792 3.418931 -0.825888
C -2.171927 0.657214 -0.190347
C -3.346929 -0.172681 0.052850
C -2.250685 2.082204 0.100275
C -1.118864 3.086905 -0.084472
C -3.262867 -1.584029 -0.227866
C -2.029411 -2.125885 -0.733947
C -0.923851 -1.209310 -0.944182
C 6.379104 -2.098503 -0.225023
C 5.881828 -0.988086 1.891981
C -4.542609 0.434076 0.561360
C -3.445095 2.613232 0.597183
C -4.592730 1.800394 0.828340
C -1.840283 -3.516967 -1.037427
C 0.318623 -1.729326 -1.449500
C -0.623490 -3.990456 -1.525537
C 0.467800 -3.083706 -1.733734
H 2.105202 0.775659 -0.245965
H 3.088810 1.466295 -1.563205
H 4.042602 1.087247 1.351703
H 5.050941 1.697857 0.017388
H 3.309558 3.625103 -0.235589
H 2.262217 2.938898 1.032374
H 4.691772 -0.454336 -1.247858
H 3.767051 -1.114742 0.138063
H 1.467624 3.443260 -1.911857
H 0.973813 4.445336 -0.514343
H 0.030065 1.555958 -0.800382
H 7.383024 -2.354012 0.159767
H 5.710183 -2.981833 -0.052029
H 6.461451 -1.941909 -1.315695
H 5.649096 -0.017307 2.360049
H 5.134472 -1.739331 2.258917
H 6.881406 -1.299856 2.244430
H -5.442383 -0.164079 0.750766
H -3.456563 3.689069 0.803460
H -5.510740 2.253501 1.216325
H -2.651925 -4.240169 -0.889387
H 1.137560 -1.019446 -1.601903
H -4.300475 -3.402477 -0.214232
H -5.224886 -2.044266 0.345717
H -0.497411 -5.054591 -1.750835
H 1.421095 -3.463106 -2.117615


