%chk=000089619.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089619

0 1
 O   -3.675800       1.343700      1.0900000E-02
 N    2.750000     -0.5192000     -3.5599999E-02
 N   -2.083700     -0.3525000     -0.3455000    
 C    1.541400      0.1996000      7.5900003E-02
 C    4.017000      0.1284000      0.2389000    
 C    2.739100      -1.918700     -0.4127000    
 C   0.3265000     -0.4321000     -0.1905000    
 C  -0.8683000      0.2793000     -7.9999998E-02
 C    1.561200       1.542600      0.4526000    
 C    4.465200      0.9314000     -0.9671000    
 C    2.418700      -2.781800      0.7925000    
 C  -0.8482000       1.622200      0.2968000    
 C   0.3665000       2.253900      0.5631000    
 C   -3.376500      0.1925000     -0.2882000    
 C   -4.427100     -0.8451000     -0.6549000    
 C   -4.906200      -1.644400      0.5437000    
 H    3.992900      0.7377000       1.149400    
 H    4.784000     -0.6302000      0.4436000    
 H    2.070800      -2.126900      -1.255500    
 H    3.731900      -2.208900     -0.7811000    
 H   0.2574000      -1.472800     -0.4888000    
 H    2.468900       2.091300      0.6769000    
 H    4.568400      0.2873000      -1.847400    
 H    3.769900       1.733400      -1.229400    
 H    5.441000       1.388000     -0.7718000    
 H    3.151300      -2.623400       1.591700    
 H    1.429300      -2.579000       1.211400    
 H    2.451700      -3.840400      0.5148000    
 H   -1.729600       2.238500      0.4043000    
 H   0.3824000       3.299400      0.8574000    
 H   -2.011100      -1.333200     -0.6078000    
 H   -5.272800     -0.3154000      -1.108700    
 H   -4.032600      -1.520700      -1.422500    
 H   -4.080900      -2.204200      0.9956000    
 H   -5.682600      -2.355100      0.2456000    
 H   -5.319100     -0.9834000       1.312700    


%chk=000089619-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089619

0 1
O -3.769052 1.046223 0.235268
N 2.825271 -0.461513 -0.078777
N -2.060633 -0.517892 -0.172585
C 1.607537 0.218084 0.089162
C 4.115580 0.182901 0.231576
C 2.877734 -1.845439 -0.582359
C 0.357113 -0.441002 -0.108874
C -0.873381 0.244969 0.054749
C 1.569771 1.600140 0.466196
C 4.703106 1.002004 -0.943064
C 2.724561 -2.918489 0.523621
C -0.901024 1.610505 0.434735
C 0.337355 2.257492 0.634432
C -3.395174 -0.118950 -0.092946
C -4.403999 -1.217251 -0.470367
C -5.644941 -1.189524 0.447363
H 4.002342 0.825168 1.124702
H 4.831373 -0.611648 0.517194
H 2.104115 -1.986808 -1.361386
H 3.849745 -1.984917 -1.092877
H 0.331324 -1.502671 -0.379578
H 2.494864 2.163635 0.612622
H 4.870218 0.357266 -1.825150
H 4.016622 1.812610 -1.243309
H 5.672379 1.452730 -0.658155
H 3.535081 -2.827973 1.269233
H 1.764985 -2.804656 1.057273
H 2.767230 -3.935851 0.090989
H -1.853623 2.123879 0.563161
H 0.340096 3.315061 0.923353
H -1.905875 -1.492975 -0.439293
H -4.720401 -1.025766 -1.515448
H -3.931742 -2.219359 -0.457482
H -5.385041 -1.482014 1.480296
H -6.424051 -1.878497 0.075882
H -6.058465 -0.167673 0.480145


