%chk=000168972.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168972

0 1
 O   -2.984700      0.3982000     -0.1498000    
 O    4.308400      0.6617000       1.018000    
 N   -2.423400      -2.112300      0.3267000    
 C  -0.6612000      0.4392000      0.7363000    
 C   -1.602000      0.1111000     -0.4340000    
 C   -1.412100      -1.433500     -0.4776000    
 C  -0.7345000       1.958600       1.033900    
 C   -1.197400     -0.4083000       1.989500    
 C   -1.306400      0.9537000      -1.697700    
 C   0.7845000     -3.7099998E-02  0.2703000    
 C  -0.2547000      -1.788100      -1.402100    
 C  -0.4663000       2.825100     -0.2027000    
 C   -1.365000       2.453900      -1.381400    
 C   -2.385500      -1.452600       1.693200    
 C   0.9602000      -1.025700     -0.7849000    
 C    1.932700      0.4933000      0.8733000    
 C    2.244300      -1.369700      -1.220100    
 C    3.204400      0.1227000      0.4270000    
 C    3.358800     -0.7901000     -0.6178000    
 H  -0.7342000      -1.766700      0.3208000    
 H  -3.4699999E-02   2.239600       1.828600    
 H   -1.725000       2.218400       1.428500    
 H   -1.556400      0.2699000       2.773500    
 H  -0.3608000     -0.9659000       2.431500    
 H   -2.052600      0.7330000      -2.471400    
 H  -0.3284000      0.7523000      -2.141900    
 H  -0.4309000      -1.494900      -2.441000    
 H  -5.8100000E-02  -2.867800      -1.382200    
 H   0.5831000       2.732900     -0.5053000    
 H  -0.6219000       3.879600      5.3399999E-02
 H   -2.396000       2.760700      -1.171100    
 H   -1.055000       3.021700      -2.266700    
 H   -2.341600      -2.241900       2.453400    
 H   -3.345500     -0.9459000       1.846900    
 H   -2.198200      -3.102900      0.4254000    
 H   -3.069500       1.301200      0.1918000    
 H    1.856600       1.202400       1.692100    
 H    2.381600      -2.103100      -2.009800    
 H    4.350800      -1.072800     -0.9613000    
 H    5.103700      0.3003000      0.5905000    


%chk=000168972-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168972

0 1
O -2.971785 0.493768 -0.085099
O 4.333907 0.678878 1.039340
N -2.592502 -1.907235 0.269585
C -0.629571 0.507273 0.783475
C -1.571237 0.182663 -0.393156
C -1.330298 -1.393733 -0.337159
C -0.606970 2.029520 1.075981
C -1.269375 -0.316332 2.016317
C -1.255790 0.989823 -1.676056
C 0.772638 -0.043736 0.262350
C -0.324981 -1.771447 -1.426328
C -0.313709 2.860842 -0.198965
C -1.301822 2.503288 -1.339417
C -2.399809 -1.441931 1.745235
C 0.911303 -0.998059 -0.838781
C 1.952007 0.469747 0.840755
C 2.203563 -1.332209 -1.291525
C 3.234358 0.102213 0.372806
C 3.372927 -0.790159 -0.710508
H -0.639848 -1.576778 0.501908
H 0.101814 2.285488 1.887699
H -1.619801 2.294496 1.437904
H -1.750129 0.428957 2.674991
H -0.447378 -0.774958 2.598149
H -2.017635 0.745814 -2.439576
H -0.261836 0.750821 -2.092873
H -0.588008 -1.443530 -2.447714
H -0.090148 -2.853168 -1.458757
H 0.726353 2.681483 -0.536399
H -0.390855 3.939248 0.040687
H -2.331644 2.763613 -1.030905
H -1.062810 3.094467 -2.244891
H -2.136384 -2.328966 2.356453
H -3.369964 -1.052300 2.094455
H -2.725521 -2.926796 0.210792
H -3.397809 -0.437835 -0.076724
H 1.902096 1.187415 1.665048
H 2.304686 -2.052606 -2.112382
H 4.363959 -1.074723 -1.086682
H 5.185108 0.376881 0.635767


