%chk=000060949.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060949

0 1
 O   -5.510100       1.012500     -0.1207000    
 O    2.267100      -2.721000     -0.1335000    
 O    3.142300       1.867600     -0.6076000    
 N  -0.6168000      -1.955700     -0.1990000    
 N   0.9226000       1.173700     -0.5258000    
 N   -1.313200      0.1515000     -0.4112000    
 N    2.734000     -0.4266000     -0.3705000    
 C   -3.118900      -1.626100     -0.2204000    
 C   -3.658400      -1.690500       1.214400    
 C   -4.149900     -0.7858000     -0.9829000    
 C   -4.319600     -0.3426000       1.479000    
 C   -1.688400      -1.104300     -0.2808000    
 C   -4.753500      7.5000003E-02  9.9500000E-02
 C   5.4699998E-02  9.6299998E-02 -0.4122000    
 C   0.5091000      -1.187900     -0.2833000    
 C    1.886300      -1.559900     -0.2512000    
 C   0.3903000       2.524000     -0.6603000    
 C    2.321800      0.9480000     -0.5095000    
 C    4.170800     -0.6797000     -0.3506000    
 C   0.2036000       3.159600      0.7151000    
 C    4.698300     -0.6258000       1.081000    
 C  -0.3718000       4.562900      0.6032000    
 C    6.199500     -0.8654000       1.127400    
 H   -3.102500      -2.636500     -0.6506000    
 H   -2.891600      -1.918900       1.961900    
 H   -4.421300      -2.477600       1.275200    
 H   -4.944000      -1.419800      -1.390100    
 H   -3.710400     -0.1704000      -1.771700    
 H   -3.599200      0.3867000       1.860000    
 H   -5.173500     -0.4337000       2.153500    
 H  -0.6539000      -2.961300     -9.4499998E-02
 H    1.092200       3.124600      -1.250800    
 H  -0.5541000       2.494600      -1.216300    
 H    4.376500      -1.663700     -0.7874000    
 H    4.686400      6.2199999E-02 -0.9708000    
 H  -0.4671000       2.545100       1.327600    
 H    1.163100       3.202000       1.244200    
 H    4.475800      0.3498000       1.529400    
 H    4.193000      -1.378200       1.698200    
 H   0.2927000       5.214200      2.6400000E-02
 H   -1.350100       4.547400      0.1124000    
 H  -0.4978000       5.001200       1.598200    
 H    6.452200      -1.849200      0.7192000    
 H    6.736000     -0.1051000      0.5508000    
 H    6.558000     -0.8240000       2.160700    


%chk=000060949-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060949

0 1
O -5.409045 1.081247 -0.702548
O 2.390863 -2.801823 -0.216037
O 3.070387 1.869165 -0.515109
N -0.637188 -2.103726 -0.186236
N 0.860391 1.103494 -0.444050
N -1.381737 0.038479 -0.308278
N 2.716289 -0.454158 -0.387535
C -3.164718 -1.770557 -0.119009
C -3.783367 -1.490044 1.304492
C -4.114590 -1.001152 -1.078688
C -4.303167 -0.037435 1.224113
C -1.749164 -1.272782 -0.215404
C -4.704942 0.153090 -0.245472
C 0.008395 0.015644 -0.339703
C 0.501315 -1.294326 -0.266135
C 1.898882 -1.632042 -0.282545
C 0.331266 2.490128 -0.495408
C 2.262278 0.898844 -0.448975
C 4.192432 -0.654343 -0.393089
C 0.160232 3.110729 0.908747
C 4.799641 -0.577561 1.024917
C -0.396553 4.546908 0.817141
C 6.326537 -0.797412 0.987405
H -3.168360 -2.856057 -0.328489
H -3.051514 -1.646765 2.114596
H -4.624089 -2.190453 1.467358
H -4.950217 -1.650599 -1.405809
H -3.624360 -0.608266 -1.983986
H -3.492732 0.686490 1.435224
H -5.144312 0.190496 1.899697
H -0.621418 -3.122175 -0.130037
H 1.043579 3.087907 -1.088481
H -0.640228 2.449218 -1.018003
H 4.375807 -1.649944 -0.831342
H 4.630606 0.126359 -1.036690
H -0.524532 2.477374 1.504747
H 1.141103 3.115942 1.419714
H 4.571617 0.413152 1.460260
H 4.322912 -1.345314 1.663114
H 0.284317 5.202478 0.242823
H -1.384315 4.562277 0.319487
H -0.518855 4.987820 1.822404
H 6.577047 -1.788108 0.563721
H 6.824918 -0.026766 0.369971
H 6.758791 -0.746230 2.002727


