%chk=000016556.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016556

0 1
 O    2.752200     -0.9052000       1.326000    
 N    1.343900     -0.3459000     -0.4049000    
 N    3.498300      0.6277000     -0.2532000    
 C   -1.380900      0.7403000      0.2844000    
 C   -2.239700      0.1495000     -0.8601000    
 C  -0.7745000     -0.5173000      0.9483000    
 C   -2.034200      -1.370100     -0.6933000    
 C   -1.920600      -1.532100      0.8271000    
 C   0.2645000      -1.189700      1.8600000E-02
 C  -0.5987000      -1.715900      -1.145200    
 C   -2.347300       1.539400       1.162800    
 C   -3.666300      0.6440000     -0.6139000    
 C   -3.485100       1.902600      0.2210000    
 C    2.550700     -0.2558000      0.2954000    
 C    4.801500      0.8434000      0.3616000    
 C    3.236200       1.385100      -1.474500    
 H  -0.6103000       1.411300     -0.1110000    
 H   -1.887300      0.5021000      -1.836800    
 H  -0.4068000     -0.3475000       1.962900    
 H   -2.801100      -1.979800      -1.175500    
 H   -2.825700      -1.248700       1.370400    
 H   -1.633500      -2.545500       1.129300    
 H   0.6965000      -2.053300      0.5419000    
 H  -0.4805000      -2.802400      -1.232900    
 H  -0.3496000      -1.271300      -2.114500    
 H   -1.868300       2.430000       1.581800    
 H   -2.723100      0.9467000       2.004000    
 H   -4.263600     -9.3099996E-02 -6.5399997E-02
 H   -4.189200      0.8526000      -1.552500    
 H   -3.194200       2.743900     -0.4191000    
 H   -4.396600       2.179600      0.7580000    
 H    1.174500      0.2555000      -1.202200    
 H    5.579900      0.5561000     -0.3510000    
 H    4.912400      0.2474000       1.270900    
 H    4.901500       1.903000      0.6141000    
 H    2.981000      0.6949000      -2.284000    
 H    4.119100       1.961800      -1.765800    
 H    2.402400       2.070800      -1.297300    


%chk=000016556-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016556

0 1
O 2.713941 -0.808687 1.363596
N 1.363509 -0.330694 -0.478647
N 3.504443 0.669035 -0.284510
C -1.371105 0.725186 0.296570
C -2.284533 0.129690 -0.860058
C -0.766938 -0.545110 0.959606
C -2.069724 -1.408324 -0.713901
C -1.928750 -1.571908 0.830567
C 0.278019 -1.201159 -0.011030
C -0.621482 -1.738420 -1.186535
C -2.323001 1.569827 1.193390
C -3.721699 0.653141 -0.575085
C -3.509105 1.940116 0.264624
C 2.536961 -0.187992 0.263533
C 4.758056 0.875677 0.453956
C 3.317640 1.359684 -1.565480
H -0.569475 1.374401 -0.103640
H -1.953519 0.473126 -1.859981
H -0.356913 -0.379856 1.968702
H -2.850819 -2.017499 -1.199537
H -2.836126 -1.286878 1.390583
H -1.638134 -2.594917 1.132176
H 0.760486 -2.033002 0.530744
H -0.476795 -2.824196 -1.328048
H -0.382524 -1.249425 -2.151533
H -1.821527 2.455115 1.624145
H -2.692833 0.959370 2.040931
H -4.286644 -0.089450 0.022786
H -4.298102 0.834062 -1.500437
H -3.220120 2.779029 -0.399307
H -4.413593 2.250533 0.819221
H 1.213569 0.207130 -1.330703
H 5.632855 0.546737 -0.140797
H 4.706501 0.273799 1.374418
H 4.893029 1.940961 0.726469
H 3.150129 0.649968 -2.401995
H 4.228277 1.933453 -1.800959
H 2.473544 2.081579 -1.538434


