%chk=000058059.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058059

0 1
 O   0.4692000     -0.4922000     -0.4981000    
 O  -0.1825000      -2.322300      0.7269000    
 N    3.959400      0.5336000      9.6600004E-02
 N   -1.639600      -1.253500     -0.7280000    
 C    4.740300       1.691400     -0.3611000    
 C    4.638900     -0.7281000     -0.2298000    
 C    6.129600       1.707800      0.2786000    
 C    6.024800     -0.7908000      0.4138000    
 C    6.878000      0.4069000      1.1700000E-02
 C    2.618200      0.5579000     -0.4867000    
 C    1.765000     -0.5645000      8.2099997E-02
 C   -2.798200      -2.089800     -0.5147000    
 C  -0.4319000      -1.441300     -8.9400001E-02
 C   -3.688400      -1.580100      0.6161000    
 C   -4.241500     -0.2009000      0.3538000    
 C   -3.526100      0.9097000      0.7738000    
 C   -5.455100     -6.8400003E-02 -0.3030000    
 C   -4.037200       2.184700      0.5313000    
 C   -5.966000       1.206600     -0.5456000    
 C   -5.256900       2.333200     -0.1285000    
 H    4.839000       1.688400      -1.454700    
 H    4.226700       2.619700     -8.2800001E-02
 H    4.106000      -1.596500      0.1657000    
 H    4.728500     -0.8581000      -1.316300    
 H    6.033800       1.858800       1.361400    
 H    6.707100       2.553300     -0.1121000    
 H    6.529400      -1.718000      0.1188000    
 H    5.922900     -0.8159000       1.506400    
 H    7.125000      0.3388000      -1.054900    
 H    7.824400      0.3971000      0.5632000    
 H    2.123600       1.511400     -0.2597000    
 H    2.648400      0.4865000      -1.582300    
 H    1.682800     -0.4686000       1.171600    
 H    2.160000      -1.552600     -0.1666000    
 H   -3.350000      -2.120000      -1.460700    
 H   -2.462400      -3.107400     -0.2868000    
 H   -3.128400      -1.571900       1.560600    
 H   -4.517500      -2.282500      0.7698000    
 H   -1.718200     -0.4815000      -1.383100    
 H   -2.576300      0.8064000       1.290700    
 H   -6.013500     -0.9395000     -0.6335000    
 H   -3.485400       3.061800      0.8564000    
 H   -6.915600       1.322400      -1.060000    
 H   -5.654900       3.325900     -0.3175000    


%chk=000058059-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058059

0 1
O 0.398585 0.806281 0.082709
O 0.409913 -1.559310 0.068880
N 4.166088 0.549681 -0.153453
N -1.452011 -0.303393 -0.632416
C 5.194800 1.221704 -0.985809
C 4.507293 -0.877913 0.085034
C 6.575344 1.162435 -0.298966
C 5.861407 -1.005669 0.810096
C 6.977411 -0.299593 0.005645
C 2.781115 0.726541 -0.647834
C 1.810718 0.786482 0.547859
C -2.334752 -1.446694 -0.886410
C -0.174182 -0.463357 -0.147471
C -3.419329 -1.643793 0.214897
C -4.385092 -0.472021 0.305046
C -4.153561 0.598169 1.208885
C -5.516448 -0.400085 -0.550360
C -5.026319 1.710098 1.255829
C -6.391501 0.708293 -0.506197
C -6.147950 1.769530 0.397140
H 5.272659 0.747797 -2.000918
H 4.890759 2.274628 -1.135437
H 3.703581 -1.344262 0.682303
H 4.554865 -1.437899 -0.886697
H 6.523296 1.735684 0.647059
H 7.330331 1.648775 -0.946772
H 6.102457 -2.076532 0.954514
H 5.774173 -0.542198 1.811870
H 7.139379 -0.842302 -0.949200
H 7.934896 -0.329577 0.559637
H 2.714523 1.672858 -1.215221
H 2.465096 -0.095647 -1.332578
H 1.933601 1.723161 1.112024
H 1.956472 -0.080945 1.213963
H -2.825504 -1.314509 -1.869368
H -1.693652 -2.343364 -0.936046
H -2.905145 -1.804273 1.180156
H -3.968957 -2.574504 -0.025355
H -1.815125 0.647801 -0.710740
H -3.291883 0.553198 1.886072
H -5.717385 -1.223280 -1.248114
H -4.833769 2.524685 1.963321
H -7.263530 0.742763 -1.169288
H -6.827269 2.628458 0.435109


