%chk=000085204.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085204

0 1
 O    3.250100     -0.6162000      -1.077000    
 O    5.339100     -0.3769000      -1.976100    
 O   -9.814200      -1.987000     -0.6942000    
 O   -10.04170      -1.261900       1.365200    
 N    1.843500       1.824400     -0.6643000    
 N   -3.553900      0.3388000     -0.7373000    
 N    4.976900      -1.527200      3.0400001E-02
 N   -3.928400      2.6699999E-02  0.4176000    
 N    3.329300       5.094700       2.599300    
 N   -9.341700      -1.462000      0.3430000    
 C    2.683500       1.595500      -1.823000    
 C    2.421800       2.430200      0.5186000    
 C   0.4837000       1.450000     -0.6828000    
 C    2.703000      0.1157000      -2.166500    
 C    2.282000       3.948300      0.4757000    
 C  -0.3824000       2.014600      -1.619100    
 C   5.1000002E-03  0.5152000      0.2354000    
 C   -1.727100       1.644400      -1.637300    
 C   -1.339500      0.1452000      0.2172000    
 C   -2.205800      0.7098000     -0.7191000    
 C    2.867700       4.587900       1.663100    
 C    4.611100     -0.8045000      -1.088600    
 C    6.272700      -1.942400      0.4131000    
 C   -5.283300     -0.3459000      0.3989000    
 C    6.452900      -2.671800       1.588300    
 C    7.371200      -1.623300     -0.3851000    
 C   -5.831000     -0.9278000     -0.7444000    
 C   -6.080900     -0.1329000       1.523300    
 C    7.731600      -3.082300       1.965300    
 C    8.649800      -2.033900     -8.1000002E-03
 C   -7.973500      -1.083500      0.3608000    
 C   -7.175900      -1.296700     -0.7635000    
 C   -7.425900     -0.5016000       1.504300    
 C    8.830100      -2.763400       1.167100    
 H    3.704900       1.944200      -1.629900    
 H    2.314900       2.171900      -2.679300    
 H    3.482700       2.158200      0.6006000    
 H    1.957000       2.040900       1.433600    
 H    3.268400     -5.6400001E-02  -3.090300    
 H    1.698200     -0.2764000      -2.355600    
 H    2.767800       4.341700     -0.4254000    
 H    1.223300       4.224700      0.4030000    
 H  -2.8000001E-02   2.750300      -2.336200    
 H   0.6700000      5.4099999E-02  0.9613000    
 H   -2.395200       2.090600      -2.369100    
 H   -1.665100     -0.6040000      0.9345000    
 H    4.223400      -1.794800      0.6590000    
 H    5.605400      -2.927100       2.219200    
 H    7.309300      -1.062500      -1.307300    
 H   -5.239700      -1.130600      -1.634000    
 H   -5.661900      0.3201000       2.418000    
 H    7.872000      -3.650300       2.880400    
 H    9.506200      -1.786200     -0.6289000    
 H   -7.567600      -1.752100      -1.669600    
 H   -8.016800     -0.3210000       2.398700    
 H    9.825700      -3.083000       1.460600    


%chk=000085204-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085204

0 1
O 3.780132 -1.199684 -0.981491
O 5.587967 -0.067187 -1.994264
O -10.817411 -0.771959 -1.092345
O -10.984798 -0.245428 1.123029
N 1.677077 0.965855 -0.459996
N -3.945277 0.186053 -0.695265
N 5.850216 -1.517059 -0.130011
N -4.657204 0.366404 0.400107
N 3.555773 3.407761 3.383918
N -10.297725 -0.426766 0.041591
C 2.498610 0.831521 -1.678324
C 2.379713 1.304680 0.787443
C 0.291959 0.774654 -0.490707
C 2.890892 -0.621426 -2.015817
C 2.331377 2.840531 1.086888
C -0.382534 0.394288 -1.699097
C -0.512001 0.954541 0.690558
C -1.770499 0.215863 -1.719193
C -1.895256 0.768837 0.663164
C -2.556896 0.397245 -0.547296
C 3.004801 3.171515 2.352073
C 5.152117 -0.852597 -1.114530
C 7.250208 -1.462993 0.139934
C -6.057054 0.146844 0.220117
C 7.728602 -2.234482 1.231807
C 8.152951 -0.683582 -0.628771
C -6.675591 -0.233497 -1.009532
C -6.855102 0.334031 1.383503
C 9.100417 -2.226809 1.554587
C 9.523595 -0.687218 -0.290486
C -8.834931 -0.228271 0.104721
C -8.063225 -0.421169 -1.068517
C -8.246575 0.148240 1.334140
C 10.007768 -1.451982 0.795112
H 3.422593 1.422309 -1.556878
H 1.966118 1.262468 -2.546521
H 3.431054 0.987995 0.696689
H 1.954992 0.743725 1.637565
H 3.406321 -0.646262 -2.993177
H 2.016901 -1.290660 -2.021152
H 2.816698 3.394956 0.261837
H 1.281161 3.182735 1.133688
H 0.175546 0.231942 -2.624430
H -0.046107 1.241025 1.637665
H -2.283081 -0.073707 -2.642473
H -2.498336 0.907720 1.565669
H 5.284206 -2.130206 0.461653
H 7.030058 -2.836883 1.826614
H 7.782660 -0.094017 -1.469862
H -6.044344 -0.371870 -1.891532
H -6.354103 0.625276 2.311688
H 9.458587 -2.824989 2.399323
H 10.218070 -0.084190 -0.885823
H -8.568387 -0.711839 -1.993460
H -8.881252 0.285542 2.213036
H 11.073350 -1.445325 1.046333


