%chk=000026221.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026221

0 1
 O   -1.198700     -5.7100002E-02   1.109600    
 N   -6.201800     -0.8524000      -1.190500    
 N   -2.128900       3.234200      2.0600000E-02
 C    3.665000      6.8599999E-02  0.3889000    
 C    4.903800     -0.5943000     -0.2203000    
 C    2.372100     -0.7107000      0.1375000    
 C    6.185000      0.2212000     -3.3000000E-02
 C    1.167300      5.9000002E-03  0.7455000    
 C    7.374000     -0.4504000     -0.7217000    
 C  -0.1187000     -0.7814000      0.5370000    
 C    8.642800      0.3737000     -0.5721000    
 C   -2.432400     -0.2312000      0.5378000    
 C   -3.126900      0.8435000     -8.2000000E-03
 C   -2.979200      -1.510500      0.5146000    
 C   -4.380800      0.6371000     -0.5832000    
 C   -4.233100      -1.717100     -6.0699999E-02
 C   -4.933900     -0.6432000     -0.6095000    
 C   -2.575700       2.164000      7.7999998E-03
 H    3.816600      0.1850000       1.469100    
 H    3.560700       1.078800     -2.6500000E-02
 H    4.730600     -0.7492000      -1.292700    
 H    5.036300      -1.588000      0.2252000    
 H    2.462800      -1.714800      0.5690000    
 H    2.221400     -0.8341000     -0.9417000    
 H    6.392300      0.3389000       1.037400    
 H    6.041500       1.226600     -0.4473000    
 H    1.058300       1.004800      0.3045000    
 H    1.322400      0.1674000       1.819600    
 H    7.537500      -1.446400     -0.2940000    
 H    7.159700     -0.5862000      -1.788200    
 H  -0.2805000     -0.9402000     -0.5372000    
 H  -4.5800000E-02  -1.758400       1.028300    
 H    8.903600      0.5038000      0.4831000    
 H    8.522300       1.364800      -1.021100    
 H    9.480000     -0.1253000      -1.070000    
 H   -2.449700      -2.355100      0.9466000    
 H   -4.930600       1.472500      -1.012700    
 H   -4.654300      -2.719100     -7.2999999E-02
 H   -6.710600     -7.4699998E-02  -1.589400    
 H   -6.602600      -1.780700      -1.210300    


%chk=000026221-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000026221

0 1
O -1.185880 0.463469 0.061889
N -6.586844 -1.209935 -0.247755
N -2.976584 3.472169 0.569896
C 3.792122 0.209213 0.038941
C 5.058045 -0.636740 -0.223249
C 2.477186 -0.573082 -0.177773
C 6.371206 0.142794 0.013071
C 1.223310 0.301909 0.049380
C 7.640147 -0.695302 -0.263440
C -0.073906 -0.490809 -0.119326
C 8.946519 0.091504 -0.021946
C -2.493146 -0.024915 -0.031866
C -3.536291 0.936384 0.132180
C -2.843252 -1.374810 -0.270520
C -4.894544 0.536356 0.059211
C -4.195320 -1.764773 -0.341550
C -5.246534 -0.818461 -0.177367
C -3.215309 2.316867 0.371225
H 3.818441 0.597985 1.078058
H 3.801760 1.098562 -0.624971
H 5.038445 -1.012597 -1.267890
H 5.042947 -1.534473 0.430225
H 2.456222 -1.446269 0.508090
H 2.463196 -0.984384 -1.208963
H 6.397012 0.509891 1.060548
H 6.383219 1.046439 -0.631946
H 1.217154 1.148096 -0.663706
H 1.244089 0.740808 1.065046
H 7.627362 -1.599070 0.379897
H 7.614678 -1.059779 -1.310886
H -0.137857 -0.944395 -1.131195
H -0.150035 -1.298625 0.639040
H 9.009116 0.443167 1.025286
H 8.999946 0.981630 -0.677019
H 9.838287 -0.530206 -0.223478
H -2.067245 -2.133539 -0.402636
H -5.673659 1.295340 0.188734
H -4.439820 -2.817552 -0.527135
H -7.334840 -0.533724 -0.130446
H -6.837543 -2.178844 -0.416852


