%chk=000022089.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022089

0 1
 O  -0.1834000       3.306700      0.9956000    
 O    1.934200       2.546600      0.8116000    
 N    3.300100      -1.020700     -0.1438000    
 C   0.1457000       1.265000     -0.3043000    
 C  -0.5681000       1.891700      -1.576200    
 C    1.393000      0.4053000     -0.7441000    
 C  -0.8674000      0.4288000      0.5204000    
 C    2.183000     -0.2516000      0.3993000    
 C   0.7426000       2.410100      0.5591000    
 C   -1.792100       2.770400      -1.257900    
 C   0.3636000       2.697900      -2.495900    
 C   -1.514800     -0.6393000     -5.8499999E-02
 C   -1.046500      0.8374000       1.817100    
 C   -2.427400      -1.361500      0.7469000    
 C    4.112300      -1.578300      0.9376000    
 C   -1.943900      0.1273000       2.609000    
 C   -1.311600      -1.035600      -1.390400    
 C   -2.630600     -0.9653000       2.078700    
 C    2.811200      -2.088100      -1.016800    
 C   -3.110000      -2.458600      0.1965000    
 C   -1.998400      -2.128100      -1.920800    
 C    5.304200      -2.321800      0.3657000    
 C   -2.895800      -2.838300      -1.128800    
 H  -0.9758000       1.146100      -2.248300    
 H    2.103300       1.062100      -1.266400    
 H    1.106600     -0.3216000      -1.489700    
 H    1.521700     -0.9075000      0.9796000    
 H    2.584400      0.4795000       1.101400    
 H   -2.466900       2.307900     -0.5330000    
 H   -2.378600       2.930000      -2.171500    
 H   -1.513300       3.766100     -0.9021000    
 H    1.123500       2.059400      -2.955500    
 H   0.8680000       3.504700      -1.954900    
 H  -0.2005000       3.155100      -3.317100    
 H  -0.5039000       1.605800       2.346600    
 H    4.493100     -0.7613000       1.562700    
 H    3.532000      -2.245400       1.587100    
 H   -2.096700      0.4095000       3.646900    
 H  -0.6162000     -0.6190000      -2.095400    
 H   -3.324000      -1.508500       2.717500    
 H    2.370800      -1.704900      -1.941000    
 H    3.614200      -2.726100      -1.397000    
 H    2.080300      -2.734300     -0.5164000    
 H   0.2260000       4.028200       1.518900    
 H   -3.815600      -3.028700      0.7974000    
 H   -1.825000      -2.433900      -2.948800    
 H    6.044600      -2.481600       1.158100    
 H    5.801800      -1.754800     -0.4288000    
 H    5.042600      -3.315300     -1.0800000E-02
 H   -3.428000      -3.690500      -1.541500    


%chk=000022089-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022089

0 1
O -0.232410 3.438310 0.913951
O 1.955518 2.745594 0.777907
N 3.122964 -1.281578 -0.124469
C 0.205479 1.349041 -0.335253
C -0.370370 2.043516 -1.668190
C 1.430338 0.445773 -0.731302
C -0.834915 0.501786 0.461079
C 2.132325 -0.312253 0.419787
C 0.753929 2.517787 0.512273
C -1.834377 2.521802 -1.554020
C 0.534339 3.196651 -2.181334
C -1.559758 -0.619797 -0.126007
C -1.014958 0.745492 1.832798
C -2.439375 -1.415208 0.722253
C 4.286127 -1.482801 0.777433
C -1.876787 -0.035790 2.656847
C -1.475269 -1.018700 -1.506992
C -2.583052 -1.102122 2.111686
C 2.489099 -2.554997 -0.527987
C -3.167428 -2.522713 0.171250
C -2.193205 -2.102842 -2.016195
C 5.454400 -2.226355 0.102219
C -3.053040 -2.869764 -1.173285
H -0.324418 1.260990 -2.448642
H 2.193220 1.066892 -1.231826
H 1.082813 -0.292667 -1.474123
H 1.379153 -0.821023 1.068533
H 2.667957 0.419419 1.048126
H -2.523744 1.689084 -1.335548
H -2.149321 2.982196 -2.509504
H -1.939798 3.274378 -0.755104
H 1.600205 2.911681 -2.225046
H 0.442391 4.098892 -1.550165
H 0.220164 3.477777 -3.203048
H -0.485048 1.571615 2.311653
H 4.637050 -0.480500 1.086658
H 3.993761 -2.028973 1.713823
H -1.972107 0.213532 3.719078
H -0.840394 -0.462988 -2.196439
H -3.250251 -1.714575 2.729425
H 1.614979 -2.356081 -1.171956
H 3.195365 -3.172021 -1.109034
H 2.133668 -3.157722 0.347213
H 0.221902 4.189268 1.387089
H -3.821924 -3.095806 0.839152
H -2.095998 -2.365349 -3.075541
H 6.337401 -2.229319 0.767674
H 5.727497 -1.722222 -0.841847
H 5.207390 -3.278913 -0.124736
H -3.613185 -3.717395 -1.582314


