%chk=000145116.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145116

0 1
 O  -0.9692000     -0.9518000     -0.4707000    
 O   -2.828500       1.655100       1.131900    
 O  -0.4591000       2.565300     -0.6604000    
 O   -3.203200      -2.598700      4.1800000E-02
 O    2.217500     -1.3400000E-02  -2.300700    
 N    1.220900     -0.1720000     -0.2252000    
 N    3.575700     -0.5704000     -0.5695000    
 N    4.961500      -1.142700       1.208200    
 C   -2.153300       1.011000      6.9100000E-02
 C  -0.6810000       1.355100      4.0800001E-02
 C   -2.103500     -0.4914000      0.2810000    
 C  -9.2100002E-02  0.1634000     -0.6978000    
 C   -3.356100      -1.207800     -0.1900000    
 C    1.395100     -0.4366000       1.124400    
 C    2.338100     -0.2410000      -1.095500    
 C   -2.735900       3.072400       1.035100    
 C   0.9218000       2.906600     -0.6981000    
 C    2.576500     -0.7563000       1.649400    
 C    3.723000     -0.8169000      0.7059000    
 C   -4.348100      -3.329800     -0.3797000    
 H   -2.637400       1.266200     -0.8834000    
 H  -0.3220000       1.483900       1.068800    
 H   -1.921700     -0.7418000       1.334100    
 H  -7.5800002E-02  0.3389000      -1.779200    
 H   -3.500800      -1.045800      -1.265000    
 H   -4.233100     -0.8352000      0.3515000    
 H   0.5201000     -0.4018000       1.762800    
 H   -2.968100       3.423600      2.4700001E-02
 H   -1.754400       3.426300       1.362000    
 H   -3.476900       3.499200       1.717800    
 H    1.411000       2.752000      0.2685000    
 H   0.9920000       3.970400     -0.9440000    
 H    1.431200       2.360000      -1.492800    
 H    2.717500     -0.9742000       2.699500    
 H   -5.234200      -3.008100      0.1760000    
 H   -4.173600      -4.389600     -0.1757000    
 H   -4.509600      -3.202900      -1.454500    
 H    5.772300      -1.195100      0.6008000    
 H    5.108100      -1.338600       2.192900    


%chk=000145116-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000145116

0 1
O -0.921259 -0.749782 -0.993142
O -2.041292 1.518979 1.567405
O -0.868683 2.486165 -1.536961
O -3.057652 -2.492438 0.220094
O 2.457866 1.691584 -0.735064
N 1.278913 -0.234554 -0.133140
N 3.514453 0.172048 0.717839
N 4.548093 -1.385323 2.092975
C -1.857174 1.119649 0.177534
C -0.510061 1.571188 -0.459112
C -1.842900 -0.419922 0.135985
C 0.133026 0.247447 -0.993733
C -3.185720 -1.075242 -0.125368
C 1.260288 -1.482908 0.448469
C 2.465051 0.612271 -0.068676
C -2.319292 2.952365 1.713514
C 0.240230 3.308783 -2.054051
C 2.331338 -1.930083 1.199712
C 3.457621 -1.032754 1.330399
C -4.272342 -3.245193 -0.082872
H -2.664137 1.536242 -0.464201
H 0.150965 2.060611 0.282186
H -1.430764 -0.800713 1.092313
H 0.497433 0.363252 -2.027399
H -3.465288 -0.950679 -1.194155
H -3.957531 -0.592003 0.514225
H 0.369305 -2.087475 0.259506
H -3.240113 3.237782 1.164329
H -1.478301 3.571588 1.342921
H -2.457545 3.123062 2.792366
H 0.708922 3.895402 -1.240350
H -0.223464 3.978863 -2.795175
H 1.027359 2.691076 -2.518776
H 2.311531 -2.918944 1.661363
H -5.145145 -2.859316 0.486942
H -4.073797 -4.286317 0.215783
H -4.510512 -3.212162 -1.167221
H 5.323150 -0.726247 2.145640
H 4.592129 -2.268802 2.592694


