%chk=000157027.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157027

0 1
 O   -3.043700      -3.135500     -0.4264000    
 O    5.743200     -6.8800002E-02  -2.028100    
 N   6.5600000E-02  0.2868000      0.8587000    
 N    5.214900      0.4941000      0.1693000    
 N   -1.856300       2.215300      0.2945000    
 C    1.100800     -0.6781000       1.166200    
 C    2.476700      1.5000000E-03   1.168100    
 C    2.795800      0.6859000     -0.1650000    
 C   0.7980000      -1.300400       2.525400    
 C    4.138800       1.405200     -0.1095000    
 C   -1.191400     -6.1000001E-02  0.3975000    
 C   -2.165500      0.9175000      0.1122000    
 C   -1.509400      -1.425500      0.2083000    
 C   -3.433600      0.5129000     -0.3547000    
 C   -2.760500      -1.816900     -0.2518000    
 C   -3.722200     -0.8507000     -0.5333000    
 C   -4.383000       1.506200     -0.6303000    
 C    5.930400     -0.1699000     -0.8184000    
 C   -4.067300       2.844300     -0.4435000    
 C   -2.801000       3.142900      1.6700000E-02
 C    7.018500      -1.043100     -0.2534000    
 C   -4.348900      -3.462900     -0.9025000    
 H    1.153100      -1.461200      0.4002000    
 H    3.239800     -0.7517000       1.399200    
 H    2.515600      0.7505000       1.970300    
 H    2.025900       1.422700     -0.4183000    
 H    2.804400     -6.3299999E-02 -0.9661000    
 H   0.2247000       1.261900       1.088400    
 H   0.7757000     -0.5361000       3.311300    
 H  -0.1633000      -1.820200       2.557600    
 H    1.571300      -2.028700       2.793200    
 H    4.138700       2.167100      0.6771000    
 H    4.330000       1.905100      -1.065300    
 H  -0.7959000      -2.220500      0.4024000    
 H    5.462200      0.3399000       1.142500    
 H   -4.715700      -1.098500     -0.8951000    
 H   -5.374400       1.243600     -0.9922000    
 H   -4.789200       3.625300     -0.6517000    
 H   -2.497400       4.171500      0.1816000    
 H    7.388900      -1.718300      -1.029800    
 H    7.840500     -0.4158000      0.1017000    
 H    6.632800      -1.642800      0.5760000    
 H   -4.523900      -3.060600      -1.906100    
 H   -5.124600      -3.159000     -0.1913000    
 H   -4.399000      -4.553800     -0.9826000    


%chk=000157027-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000157027

0 1
O -3.234356 -3.172008 -0.537221
O 5.938136 -0.164999 -1.967232
N -0.020423 0.162225 0.859800
N 5.295454 0.612259 0.129027
N -1.784857 2.153557 0.434142
C 1.074898 -0.751245 1.213760
C 2.420329 0.011740 1.133340
C 2.807568 0.435948 -0.299997
C 0.864314 -1.387696 2.612593
C 4.088753 1.299492 -0.368517
C -1.267504 -0.210831 0.407340
C -2.218179 0.870999 0.166938
C -1.675280 -1.533386 0.157305
C -3.539187 0.566675 -0.328335
C -2.987372 -1.804474 -0.336015
C -3.922944 -0.787665 -0.582803
C -4.411569 1.685177 -0.540953
C 6.144371 -0.087573 -0.717471
C -3.967045 2.983281 -0.268804
C -2.639277 3.176578 0.220804
C 7.348194 -0.748089 -0.046729
C -4.553234 -3.552326 -1.045342
H 1.099257 -1.564227 0.456941
H 3.209950 -0.639938 1.555668
H 2.359605 0.906111 1.792406
H 1.977914 1.012550 -0.754013
H 2.953086 -0.461700 -0.930976
H 0.077209 1.173282 1.015055
H 0.921406 -0.614577 3.401045
H -0.126371 -1.870348 2.681459
H 1.636875 -2.152454 2.816381
H 3.952607 2.232068 0.212891
H 4.289568 1.570558 -1.419663
H -1.013648 -2.386281 0.326639
H 5.497000 0.629760 1.129112
H -4.928306 -0.999209 -0.957139
H -5.426151 1.509388 -0.917645
H -4.618203 3.849254 -0.424692
H -2.266161 4.182856 0.442862
H 7.333198 -1.829792 -0.264606
H 8.273629 -0.339584 -0.488155
H 7.381643 -0.603615 1.047518
H -4.742632 -3.107978 -2.041823
H -5.355947 -3.247880 -0.345741
H -4.526217 -4.648986 -1.126153


