%chk=000226958.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226958

0 1
 O   0.7823000      -1.920100       1.303100    
 N    1.164300      0.1184000      0.2213000    
 C   0.6730000       1.200700     -0.6433000    
 C    2.511900      0.2486000      0.7023000    
 C   5.4000001E-03   2.320300      0.1484000    
 C    3.529400     -0.3892000     -0.2376000    
 C  -0.5321000       3.436200     -0.7503000    
 C    4.963500     -0.2769000      0.2847000    
 C   0.3918000      -1.002500      0.5823000    
 C  -0.9921000      -1.103200      9.2299998E-02
 C   -1.244400       4.507600      6.0600001E-02
 C    5.947900     -0.9732000     -0.6419000    
 C   -2.022700     -0.5644000      0.8468000    
 C   -1.240300      -1.735100      -1.116400    
 C   -3.334100     -0.6598000      0.3812000    
 C   -2.551700      -1.830700      -1.581900    
 C   -3.598600      -1.293100     -0.8331000    
 C   -4.453500     -8.3800003E-02   1.181300    
 H    1.516300       1.593900      -1.223500    
 H  -3.6200002E-02  0.7944000      -1.370400    
 H    2.741200       1.309200      0.8587000    
 H    2.584000     -0.2356000       1.683700    
 H   0.7268000       2.745300      0.8576000    
 H  -0.8130000       1.921800      0.7552000    
 H    3.465000      8.0399998E-02  -1.226900    
 H    3.276900      -1.447500     -0.3823000    
 H   -1.231900       3.017500      -1.482900    
 H   0.2927000       3.891500      -1.310500    
 H    5.031800     -0.7253000       1.282600    
 H    5.240800      0.7791000      0.3826000    
 H  -0.5655000       4.965800      0.7869000    
 H   -1.618600       5.296300     -0.5996000    
 H   -2.096500       4.086900      0.6039000    
 H    5.924800     -0.5303000      -1.642700    
 H    6.966300     -0.8793000     -0.2522000    
 H    5.715600      -2.039100     -0.7321000    
 H   -1.814100     -7.6499999E-02   1.795600    
 H  -0.4303000      -2.155700      -1.705700    
 H   -2.757500      -2.323000      -2.527800    
 H   -4.615600      -1.372300      -1.208000    
 H   -5.395600     -0.6049000      0.9799000    
 H   -4.258000     -0.1786000       2.254900    
 H   -4.581500      0.9758000      0.9388000    


%chk=000226958-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226958

0 1
O 1.053715 -2.212490 0.811674
N 0.997384 0.058673 0.317421
C 0.475532 1.209952 -0.454651
C 2.404765 0.155158 0.783015
C 0.114938 2.446674 0.402063
C 3.430688 -0.287067 -0.287354
C -0.351624 3.634685 -0.470558
C 4.886642 -0.141443 0.208882
C 0.399379 -1.199869 0.388987
C -1.043398 -1.366758 -0.028653
C -0.718979 4.878714 0.366712
C 5.920396 -0.593612 -0.845032
C -2.080518 -0.502558 0.402323
C -1.373740 -2.520694 -0.784701
C -3.437380 -0.754429 0.075383
C -2.716255 -2.775404 -1.130382
C -3.741351 -1.898711 -0.704351
C -4.533603 0.188926 0.542734
H 1.246862 1.505946 -1.196928
H -0.408118 0.883105 -1.027595
H 2.595651 1.202079 1.086394
H 2.511516 -0.490324 1.671983
H 0.991443 2.759305 1.004005
H -0.680663 2.180758 1.125254
H 3.295946 0.312593 -1.211304
H 3.228672 -1.342710 -0.547124
H -1.226438 3.323837 -1.077581
H 0.449706 3.896901 -1.191366
H 5.016486 -0.739990 1.133194
H 5.080790 0.914889 0.488995
H 0.148720 5.231043 0.955487
H -1.052817 5.713877 -0.275669
H -1.535518 4.651293 1.077515
H 5.830315 0.003638 -1.772165
H 6.954800 -0.483403 -0.470770
H 5.769094 -1.655548 -1.114466
H -1.838250 0.362153 1.031536
H -0.574364 -3.211460 -1.071056
H -2.968682 -3.663929 -1.719747
H -4.785180 -2.111575 -0.965749
H -5.518082 -0.310135 0.554186
H -4.333202 0.569238 1.560429
H -4.617378 1.068274 -0.125372


