%chk=000035255.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035255

0 1
 O    1.376000      -3.300700     -0.1165000    
 N    3.046400       1.043700      6.2300000E-02
 N   0.7270000      0.7008000      3.1599998E-02
 N  -0.1245000      -1.540700     -6.1799999E-02
 N    2.244000      -1.157400     -2.7700000E-02
 C   -1.608700      0.3035000     -2.2000000E-03
 C  -0.2554000     -0.2087000     -1.1500000E-02
 C    2.888400       2.463500      0.1146000    
 C    1.952700      0.1525000      2.0400001E-02
 C   -1.886100       1.551400     -0.5602000    
 C   -2.635800     -0.4509000      0.5646000    
 C    4.245300       3.138300      0.1729000    
 C    1.156400      -1.943900     -6.7000002E-02
 C   -3.190700       2.045000     -0.5514000    
 C   -3.940500      4.2599998E-02  0.5734000    
 C   -4.217900       1.290500      1.5400000E-02
 C   0.2233000      -4.129600     -0.1569000    
 H    2.349900       2.821000     -0.7707000    
 H    2.310500       2.752100       1.000300    
 H    3.970100      0.6264000      5.1399998E-02
 H   -1.109200       2.159100      -1.017900    
 H   -2.450600      -1.422700       1.015900    
 H    4.805500       2.820700       1.058900    
 H    4.846200       2.891200     -0.7090000    
 H    4.129900       4.225800      0.2136000    
 H   -3.407400       3.015800     -0.9876000    
 H   -4.740300     -0.5436000       1.016500    
 H   -5.233700       1.674700      2.2299999E-02
 H   0.5578000      -5.170600     -0.1929000    
 H  -0.3700000      -3.936000      -1.056900    
 H  -0.3848000      -4.003100      0.7453000    


%chk=000035255-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000035255

0 1
O 1.449004 -3.315024 0.088041
N 3.064840 1.025711 -0.004872
N 0.729895 0.719867 -0.000934
N -0.118406 -1.550380 0.047579
N 2.284751 -1.174132 0.041586
C -1.685177 0.333335 0.006534
C -0.293351 -0.185367 0.018098
C 2.948792 2.493515 -0.037492
C 1.997085 0.174749 0.011737
C -1.926845 1.732563 -0.023272
C -2.784621 -0.565200 0.025312
C 4.344707 3.137361 -0.026153
C 1.184394 -1.964270 0.057245
C -3.248232 2.224165 -0.033792
C -4.105127 -0.070676 0.014389
C -4.341648 1.324811 -0.015040
C 0.282691 -4.226201 0.105670
H 2.385850 2.797665 -0.940562
H 2.354454 2.832852 0.831902
H 3.986319 0.584664 0.003560
H -1.066364 2.408083 -0.037949
H -2.578572 -1.639349 0.048496
H 4.905587 2.865737 0.887168
H 4.938014 2.827699 -0.906413
H 4.254006 4.236780 -0.051461
H -3.428584 3.304657 -0.056338
H -4.949711 -0.768532 0.028577
H -5.368509 1.707875 -0.023253
H 0.730160 -5.230472 0.119784
H -0.339081 -4.079727 -0.793156
H -0.332522 -4.052058 1.004208


