%chk=000132697.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132697

0 1
 O   -1.202900     -0.5628000      0.2084000    
 O  -0.8640000     -0.2431000      -2.045900    
 O    4.027100      -1.758400     -8.3999999E-02
 N   -5.126400      0.1953000      0.8203000    
 N    3.571000      0.5014000      0.1763000    
 C   -4.809900      0.2023000     -0.6205000    
 C   -4.781700      -1.181800       1.221900    
 C   -5.342100      -1.139200      -1.136300    
 C   -5.323500      -2.058600      8.7499999E-02
 C   -3.274600      0.2904000     -0.7260000    
 C   -3.243500      -1.236000       1.305900    
 C   -2.569100     -0.8812000     -2.6699999E-02
 C   -6.520800      0.5326000       1.095000    
 C  -0.4616000     -0.2621000     -0.8931000    
 C   0.9401000      4.8700001E-02 -0.5146000    
 C    1.345200       1.340900     -0.2095000    
 C    1.812100      -1.015500     -0.4830000    
 C    2.699500       1.527100      0.1386000    
 C    3.116900     -0.7353000     -0.1312000    
 C   0.4631000       2.434300     -0.2386000    
 C    3.124900       2.816100      0.4479000    
 C   0.9155000       3.712700      7.5499997E-02
 C    2.248100       3.903400      0.4191000    
 C    5.357700      -1.415000      0.2841000    
 C    6.237800      -2.656600      0.2315000    
 C    7.661200      -2.359500      0.5975000    
 H   -5.254000       1.053300      -1.149000    
 H   -5.201900      -1.459600       2.195000    
 H   -4.744900      -1.544200      -1.959800    
 H   -6.372000      -1.033500      -1.497600    
 H   -6.344600      -2.390800      0.3097000    
 H   -4.716600      -2.953700     -8.3499998E-02
 H   -3.028800      0.3298000      -1.791400    
 H   -2.931200       1.242500     -0.2992000    
 H   -2.892400     -0.5519000       2.090800    
 H   -2.916100      -2.235100       1.620000    
 H   -2.602300      -1.768500     -0.6729000    
 H   -6.729600       1.557600      0.7694000    
 H   -6.708200      0.5022000       2.174000    
 H   -7.242900     -0.1306000      0.6076000    
 H    1.499400      -2.026300     -0.7205000    
 H  -0.5839000       2.315900     -0.5052000    
 H    4.164000       2.991900      0.7203000    
 H   0.2313000       4.555400      5.1700000E-02
 H    2.609700       4.897500      0.6654000    
 H    5.366300      -1.005300       1.302000    
 H    5.756000     -0.6650000     -0.4112000    
 H    6.192200      -3.091800     -0.7742000    
 H    5.828500      -3.420400      0.9039000    
 H    7.733900      -1.959700       1.614100    
 H    8.102500      -1.628300     -8.7600000E-02
 H    8.266800      -3.270200      0.5512000    


%chk=000132697-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000132697

0 1
O -1.414923 -0.056689 0.416371
O -0.606449 -1.935904 -0.683770
O 4.336416 -1.714548 -0.361016
N -5.484551 0.542431 -0.167847
N 3.755475 0.451832 0.385326
C -4.892414 -0.378613 -1.192729
C -5.162684 -0.186357 1.102388
C -5.323809 -1.824592 -0.742919
C -5.506152 -1.694901 0.808658
C -3.353227 -0.191066 -1.151503
C -3.651577 0.025197 1.385620
C -2.817234 -0.577688 0.243125
C -6.930016 0.805482 -0.359820
C -0.389986 -0.838041 -0.108085
C 0.993043 -0.274351 0.102664
C 1.332531 1.062105 0.569738
C 2.022459 -1.168259 -0.205267
C 2.751787 1.365856 0.686921
C 3.384082 -0.759390 -0.042746
C 0.396835 2.095030 0.903404
C 3.168796 2.659915 1.129411
C 0.834603 3.353762 1.329993
C 2.227521 3.641714 1.446836
C 5.763259 -1.322167 -0.202008
C 6.600130 -2.533975 -0.614601
C 8.111605 -2.241685 -0.483499
H -5.268230 -0.118394 -2.197306
H -5.754359 0.227855 1.936965
H -4.567380 -2.580571 -1.018451
H -6.271003 -2.115849 -1.230098
H -6.545338 -1.920582 1.106400
H -4.848927 -2.383016 1.369887
H -2.861656 -0.805813 -1.926593
H -3.129426 0.873473 -1.345562
H -3.460885 1.111360 1.448279
H -3.363914 -0.435175 2.348985
H -2.756759 -1.678177 0.327306
H -7.076085 1.328146 -1.321832
H -7.284383 1.475170 0.443937
H -7.578451 -0.103756 -0.360848
H 1.790747 -2.172214 -0.567619
H -0.669014 1.880844 0.826369
H 4.245138 2.842251 1.203180
H 0.098151 4.126230 1.577626
H 2.555485 4.631457 1.783370
H 5.937738 -1.030645 0.850990
H 5.963274 -0.437917 -0.836290
H 6.352410 -2.806426 -1.657589
H 6.321789 -3.397574 0.018027
H 8.383281 -1.988034 0.558435
H 8.415297 -1.394723 -1.127071
H 8.708281 -3.121715 -0.782040


