%chk=000043100.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043100

0 1
 O  -0.2604000      0.7383000      -1.403300    
 N   0.9994000     -0.5691000      6.3000001E-02
 N   -2.501600      8.6300001E-02 -0.2295000    
 C    1.103700      -1.631000       1.085900    
 C    2.579000      -1.755000       1.482100    
 C    2.292200     -6.1299998E-02 -0.1828000    
 C    3.225700     -0.7233000      0.6173000    
 C   -1.420300     -0.8645000     -9.8399997E-02
 C  -0.1712000     -0.1458000     -0.5512000    
 C   -2.264900       1.272900      0.6021000    
 C   -3.787800     -0.5244000      0.1299000    
 C   -3.398500       2.279600      0.4239000    
 C   -4.099900      -1.690900     -0.8041000    
 C    2.694300      0.9371000      -1.058200    
 C    4.574900     -0.4070000      0.5633000    
 C    4.053200       1.262100      -1.119100    
 C    4.987300      0.5952000     -0.3143000    
 C   -3.166200       3.529000       1.259500    
 C   -5.438900      -2.328100     -0.4661000    
 H   0.4988000      -1.353300       1.956100    
 H   0.7115000      -2.567400      0.6736000    
 H    2.723300      -1.531500       2.543700    
 H    2.962600      -2.756000       1.261800    
 H   -1.503300      -1.718300     -0.7770000    
 H   -1.356100      -1.234300      0.9271000    
 H   -2.193000      0.9901000       1.661600    
 H   -1.336300       1.798300      0.3601000    
 H   -3.795300     -0.8580000       1.175600    
 H   -4.624400      0.1633000     -9.2000002E-03
 H   -3.498800       2.562500     -0.6307000    
 H   -4.363700       1.896200      0.7638000    
 H   -3.358700      -2.491400     -0.7253000    
 H   -4.113500      -1.352800      -1.847300    
 H    2.000700       1.472800      -1.694200    
 H    5.296600     -0.9236000       1.187000    
 H    4.390000       2.041100      -1.798100    
 H    6.038800      0.8620000     -0.3756000    
 H   -3.990300       4.236600       1.122900    
 H   -2.238700       4.030700      0.9656000    
 H   -3.102000       3.284100       2.324700    
 H   -6.255100      -1.605600     -0.5676000    
 H   -5.642600      -3.164700      -1.142100    
 H   -5.444300      -2.711400      0.5594000    


%chk=000043100-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043100

0 1
O -0.112458 1.240690 -0.603512
N 1.114805 -0.518553 0.311850
N -2.586191 0.176912 0.307470
C 1.214019 -1.789002 1.103708
C 2.717328 -2.199986 1.043668
C 2.419308 -0.089261 -0.089470
C 3.389599 -1.033822 0.334680
C -1.343079 -0.520645 0.634571
C -0.082407 0.155543 0.049516
C -2.738960 1.504926 0.957391
C -3.785281 -0.688934 0.415445
C -3.527700 2.500560 0.081063
C -3.955428 -1.656847 -0.776893
C 2.788593 1.075820 -0.800177
C 4.750839 -0.823417 0.062631
C 4.165094 1.274218 -1.067559
C 5.141964 0.342913 -0.643602
C -3.709887 3.867868 0.774271
C -5.215591 -2.537930 -0.635767
H 0.884632 -1.609604 2.144149
H 0.559341 -2.565203 0.669500
H 3.129457 -2.365270 2.055006
H 2.852088 -3.140736 0.478653
H -1.399023 -1.548787 0.226767
H -1.185448 -0.644110 1.742825
H -3.229321 1.412363 1.960836
H -1.732083 1.925212 1.121666
H -3.792746 -1.274802 1.372614
H -4.671655 -0.028875 0.452412
H -2.975599 2.614496 -0.869149
H -4.521309 2.079237 -0.172744
H -3.063080 -2.307642 -0.872101
H -4.002008 -1.056045 -1.704063
H 2.027303 1.785349 -1.125705
H 5.501892 -1.551603 0.390079
H 4.473879 2.171430 -1.615806
H 6.200395 0.521076 -0.862153
H -4.266519 4.571584 0.128938
H -2.730817 4.327913 1.006423
H -4.268619 3.767241 1.724845
H -6.130351 -1.918217 -0.575558
H -5.327002 -3.217333 -1.500053
H -5.171777 -3.159228 0.279233


