%chk=000130795.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130795

0 1
 O   -4.042000      -1.284200     -0.8096000    
 O   -3.836300      -3.732400       1.808300    
 O   -6.840100      -1.516300     -0.5709000    
 O   -1.356400       4.313500      0.3702000    
 N   -2.035800     -8.6499996E-02 -0.4126000    
 N  -0.5113000       1.519400     -4.5400001E-02
 N   0.2238000     -0.7512000     -0.3802000    
 N   -4.016400       1.320600     -0.3003000    
 N    2.279700      -1.889600     -0.4411000    
 N    2.363900      0.2980000     -6.7100003E-02
 N   -3.560000       3.640500      0.1199000    
 N   -5.757800       2.832900     -0.1546000    
 N    7.290500      0.2184000      0.2304000    
 C   -2.614100      -1.406100     -0.6702000    
 C   -2.343000      -2.423400      0.4322000    
 C   -3.656300      -2.479400       1.180600    
 C   -4.659000      -2.243000      6.3900001E-02
 C   -5.994000      -1.707800      0.5492000    
 C   -2.703400       1.080200     -0.2583000    
 C  -0.7230000      0.2522000     -0.2719000    
 C   -1.770400       2.050400     -3.5700001E-02
 C    1.574900     -0.7287000     -0.2901000    
 C   -2.177000       3.426100      0.1709000    
 C    3.610900      -1.590900     -0.3066000    
 C   -4.399600       2.645400     -0.1008000    
 C    3.641200     -0.2207000     -7.3600002E-02
 C    4.898300      0.4087000      0.1119000    
 C    1.734800      -3.205500     -0.6962000    
 C    4.757800      -2.377300     -0.3667000    
 C    6.085600     -0.3558000      5.7799999E-02
 C    5.985000      -1.725000     -0.1793000    
 C    4.983400       1.790000      0.3502000    
 C    6.228000       2.374400      0.5272000    
 C    7.337900       1.553100      0.4586000    
 H   -2.204900      -1.733700      -1.632800    
 H   -1.512300      -2.186600       1.103400    
 H   -2.116000      -3.400400     -1.3300000E-02
 H   -3.696600      -1.685600       1.935000    
 H   -4.827600      -3.154400     -0.5244000    
 H   -5.886200     -0.7446000       1.057900    
 H   -6.477900      -2.412500       1.231800    
 H   -3.818800      -4.423500       1.124700    
 H  -0.1637000      -1.665300     -0.5999000    
 H   -4.713300      0.6078000     -0.4833000    
 H   -6.396500     -0.8935000      -1.171800    
 H    1.200700      -3.179000      -1.649700    
 H    2.531500      -3.948900     -0.7499000    
 H    1.057200      -3.464000      0.1219000    
 H    4.725000      -3.445200     -0.5491000    
 H    6.893300      -2.325500     -0.2234000    
 H   -6.392200       2.059600     -0.3226000    
 H   -6.166200       3.752000     -2.5100000E-02
 H    4.091700       2.409300      0.3984000    
 H    6.326900       3.437500      0.7127000    
 H    8.335900       1.959200      0.5900000    


%chk=000130795-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000130795

0 1
O -3.806353 -1.507469 0.622762
O -1.558549 -1.338137 3.526718
O -5.417908 0.615023 1.535571
O -2.362824 2.347103 -4.419602
N -2.196519 -0.934917 -1.072972
N -1.115272 -0.040965 -2.890662
N -0.055938 -1.969806 -1.807714
N -4.169892 0.627454 -1.091275
N 2.236010 -1.066629 -2.048601
N 1.520755 -1.660012 0.045249
N -4.048643 2.373445 -2.774955
N -5.753151 2.354313 -1.148607
N 5.914245 -0.293444 2.070769
C -2.558989 -1.943633 -0.028304
C -1.535342 -2.103685 1.106831
C -1.958933 -1.043599 2.153640
C -3.505375 -0.946429 1.975673
C -4.047813 0.488762 2.079099
C -2.973975 0.117303 -1.555848
C -1.070666 -0.999079 -1.952636
C -2.298358 0.674470 -2.659625
C 1.191378 -1.589106 -1.262281
C -2.864122 1.837630 -3.378973
C 3.301929 -0.810299 -1.177244
C -4.623609 1.803582 -1.722589
C 2.833516 -1.170462 0.119807
C 3.677346 -1.009716 1.264719
C 2.174259 -0.762524 -3.486601
C 4.610154 -0.295181 -1.406947
C 5.010584 -0.487045 1.034076
C 5.443171 -0.142823 -0.299051
C 3.292969 -1.320099 2.603641
C 4.213369 -1.115620 3.636933
C 5.511282 -0.603912 3.320934
H -2.780894 -2.894011 -0.542394
H -0.481957 -2.000233 0.795167
H -1.673711 -3.115668 1.539747
H -1.478632 -0.072539 1.944307
H -4.014323 -1.606738 2.707369
H -3.451258 1.182573 1.465788
H -4.005906 0.820719 3.135205
H -1.728376 -2.295691 3.721307
H -0.051822 -2.739252 -2.481806
H -4.698565 0.183210 -0.328135
H -6.037052 0.026281 2.035339
H 1.126106 -0.558283 -3.764254
H 2.760411 0.148516 -3.690454
H 2.579895 -1.592984 -4.092338
H 4.954343 -0.027240 -2.410942
H 6.459978 0.247958 -0.399247
H -6.070084 2.055242 -0.225713
H -6.117880 3.198863 -1.581409
H 2.286340 -1.705214 2.795813
H 3.957340 -1.337635 4.677732
H 6.247112 -0.439668 4.117579


