%chk=000059256.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059256

0 1
 O   -1.554700       1.174700      -1.217200    
 O    4.500800       1.143400     -0.1425000    
 O   -1.183300     -0.6959000      0.8101000    
 N   -5.909700      -1.592400      0.8840000    
 C    1.983600       3.104600      0.3594000    
 C   0.5541000       2.566200      0.2614000    
 C    2.746000       2.587300       1.582500    
 C  -0.1661000       3.130500     -0.9680000    
 C    2.863600       1.062000       1.626000    
 C   -1.584400       2.590000      -1.103300    
 C    3.610700      0.5101000      0.4204000    
 C    3.251400     -0.8476000     -8.4799998E-02
 C   -2.620500      0.4889000     -0.6942000    
 C   -2.430700     -0.4476000      0.3221000    
 C    2.772000      -1.815900      0.7976000    
 C    3.394400      -1.148300      -1.439400    
 C   -3.902500      0.7341000      -1.186200    
 C   -3.523100      -1.138900      0.8462000    
 C   -4.994600      4.3000001E-02 -0.6621000    
 C   -4.805000     -0.8935000      0.3541000    
 C    2.435900      -3.084700      0.3256000    
 C    3.058200      -2.417200      -1.911400    
 C    2.578900      -3.385300      -1.028800    
 C   -1.075200      -1.667500       1.848600    
 H    1.949600       4.199900      0.4166000    
 H    2.530900       2.864000     -0.5590000    
 H   0.5741000       1.475100      0.1852000    
 H  -3.7000000E-03   2.823200       1.169400    
 H    2.242100       2.928600       2.494800    
 H    3.746400       3.037000       1.588900    
 H  -0.1976000       4.224700     -0.9150000    
 H   0.4049000       2.858400      -1.864300    
 H    1.870000      0.6125000       1.707100    
 H    3.428700      0.7725000       2.519800    
 H   -2.175500       2.905500     -0.2335000    
 H   -2.049300       3.006100      -2.004100    
 H    2.666800      -1.615400       1.860000    
 H    3.761600     -0.4050000      -2.142100    
 H   -4.064100       1.455100      -1.983000    
 H   -3.437100      -1.879200       1.635000    
 H   -5.988500      0.2418000      -1.055000    
 H    2.065400      -3.839500       1.013100    
 H    3.168300      -2.651200      -2.966200    
 H    2.317300      -4.373200      -1.396300    
 H   -6.839100      -1.414000      0.5277000    
 H   -5.774200      -2.271300       1.621200    
 H   -1.622200      -1.362000       2.747000    
 H   -1.367100      -2.663900       1.499800    
 H  -1.9400001E-02  -1.724100       2.130200    


%chk=000059256-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059256

0 1
O -1.781418 1.466330 -0.454354
O 4.343182 1.110997 -0.805435
O -1.509497 -1.143293 -0.098171
N -6.353509 -1.675215 0.693528
C 2.032553 3.311420 -0.063480
C 0.562003 3.018149 0.308615
C 3.055606 2.874958 1.016170
C -0.431921 3.423676 -0.802534
C 3.085727 1.352125 1.272389
C -1.858730 2.933588 -0.530073
C 3.696925 0.541831 0.123776
C 3.547763 -0.959103 0.129496
C -2.960776 0.762340 -0.158109
C -2.818378 -0.650228 0.019504
C 2.857324 -1.659740 1.155137
C 4.128366 -1.696722 -0.938566
C -4.244140 1.331817 -0.035048
C -3.946279 -1.449573 0.298341
C -5.377372 0.534648 0.248944
C -5.242173 -0.865462 0.415393
C 2.752774 -3.067245 1.113056
C 4.021398 -3.100440 -0.982605
C 3.333184 -3.790887 0.045107
C -1.317187 -2.585919 0.038121
H 2.155862 4.399030 -0.245068
H 2.280290 2.808100 -1.018084
H 0.420569 1.937741 0.495008
H 0.302705 3.544606 1.251932
H 2.822447 3.388170 1.971014
H 4.065476 3.200204 0.704128
H -0.454124 4.526079 -0.923349
H -0.095038 2.997916 -1.767797
H 2.069294 0.975262 1.492413
H 3.688805 1.130932 2.179422
H -2.248405 3.336315 0.430370
H -2.547569 3.233798 -1.348031
H 2.399029 -1.114661 1.986327
H 4.655875 -1.138368 -1.719237
H -4.378222 2.410166 -0.163621
H -3.834610 -2.531006 0.430606
H -6.363547 1.004703 0.337816
H 2.224531 -3.599567 1.912090
H 4.471136 -3.658644 -1.811086
H 3.252163 -4.883474 0.014075
H -7.280421 -1.269618 0.771865
H -6.255574 -2.679333 0.801459
H -1.624919 -2.944272 1.041487
H -1.876771 -3.143850 -0.738946
H -0.236310 -2.742682 -0.096596


