%chk=000071851.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071851

0 1
 O   0.5499000      -1.246800     -0.2852000    
 N    3.861000      0.3072000      0.1080000    
 C   -2.514000       1.144900      0.6627000    
 C   -3.824000       1.126300     -0.1893000    
 C   -2.772600     -0.3925000      0.8207000    
 C   -4.287700      7.0000002E-03  0.7980000    
 C   -3.602400      0.6110000      -1.622400    
 C   -2.369100      -1.167200     -0.4012000    
 C   -1.238500       1.571300     -3.5900000E-02
 C   -2.621900       1.932200       1.960300    
 C   -2.784700     -0.6586000      -1.576400    
 C   -1.559200      -2.408600     -0.2435000    
 C  -0.2386000      -2.154800      0.4731000    
 C    1.793800     -0.9815000      0.3485000    
 C    2.582800     -7.8999996E-03 -0.5124000    
 C    4.604000       1.277400     -0.7000000    
 C    4.658000     -0.9071000      0.2988000    
 C    3.797300       2.547300     -0.9122000    
 C    5.965700     -0.5996000       1.008500    
 H   -4.423500       2.042000     -0.1638000    
 H   -2.447200     -0.8428000       1.762800    
 H   -4.724900      0.3329000       1.746300    
 H   -4.976800     -0.7374000      0.3818000    
 H   -4.568100      0.4018000      -2.095800    
 H   -3.092000       1.366300      -2.229400    
 H   -1.026300       1.076200     -0.9847000    
 H   -1.261600       2.645900     -0.2537000    
 H  -0.3691000       1.392300      0.6075000    
 H   -3.508000       1.715700       2.561200    
 H   -1.756200       1.735300       2.604000    
 H   -2.641100       3.009700       1.757800    
 H   -2.542000      -1.146800      -2.514500    
 H   -1.350100      -2.842800      -1.229300    
 H   -2.141200      -3.149400      0.3170000    
 H   0.2984000      -3.106400      0.5677000    
 H  -0.3992000      -1.757800       1.481600    
 H    1.616200     -0.5579000       1.344600    
 H    2.295700      -1.946700      0.4514000    
 H    1.948700      0.8788000     -0.6200000    
 H    2.706300     -0.4215000      -1.522400    
 H    5.517100       1.590300     -0.1833000    
 H    4.897500      0.8615000      -1.672000    
 H    4.154400      -1.614000      0.9630000    
 H    4.857900      -1.422500     -0.6489000    
 H    2.998200       2.418200      -1.648700    
 H    3.365600       2.917600      2.4000000E-02
 H    4.452200       3.335200      -1.301500    
 H    6.429500      -1.533900       1.345200    
 H    5.810300      2.4499999E-02   1.895200    
 H    6.693300     -0.1119000      0.3526000    


%chk=000071851-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000071851

0 1
O 0.633222 -1.436541 -0.081610
N 4.040264 0.105435 -0.231553
C -2.674611 1.281279 0.568945
C -3.917505 1.107303 -0.411152
C -2.953469 -0.247373 0.949731
C -4.464085 0.021698 0.585751
C -3.491520 0.405522 -1.727904
C -2.394694 -1.176759 -0.131385
C -1.310775 1.669154 -0.028632
C -2.992050 2.241385 1.738507
C -2.691163 -0.856397 -1.421662
C -1.578908 -2.389129 0.270372
C -0.232561 -2.042762 0.933343
C 1.918994 -0.991775 0.467249
C 2.672917 -0.281067 -0.665609
C 4.480813 1.419444 -0.769027
C 5.031964 -0.982670 -0.446813
C 3.791640 2.609124 -0.073589
C 6.238611 -0.899662 0.507914
H -4.535592 2.002921 -0.601901
H -2.706852 -0.571057 1.976513
H -5.045440 0.454697 1.415697
H -5.016577 -0.826720 0.149640
H -4.389958 0.157383 -2.331241
H -2.883591 1.095408 -2.351272
H -0.960740 0.947741 -0.784131
H -1.369404 2.672941 -0.493715
H -0.540439 1.717000 0.766574
H -3.972203 2.046688 2.207139
H -2.218936 2.158961 2.526669
H -2.993938 3.290012 1.382701
H -2.336734 -1.474824 -2.256502
H -1.374202 -3.023513 -0.612276
H -2.152271 -3.005730 0.995163
H 0.245057 -2.965446 1.334933
H -0.376303 -1.336269 1.782217
H 1.764597 -0.289963 1.315299
H 2.499450 -1.863800 0.844480
H 2.100814 0.621046 -0.944722
H 2.683183 -0.942861 -1.563185
H 5.570863 1.502106 -0.605575
H 4.321022 1.484363 -1.875690
H 4.513888 -1.944942 -0.275219
H 5.389578 -1.004600 -1.508209
H 2.694679 2.585104 -0.209208
H 4.000654 2.587147 1.010191
H 4.159116 3.566582 -0.488395
H 6.925441 -1.749981 0.337743
H 5.893937 -0.924489 1.556446
H 6.817617 0.030286 0.362763


