%chk=000018244.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018244

0 1
 O    1.338700      0.1093000     -0.3742000    
 O  -0.8134000     -0.7756000      0.9451000    
 O  -5.6200001E-02 -0.3328000      -2.148300    
 N    4.960800     -0.2753000      -1.090300    
 C    3.727300      6.2799998E-02 -0.3669000    
 C    3.769800     -0.8875000      0.8316000    
 C    5.245900      -1.208600       1.038500    
 C    5.977300     -0.4374000     -4.7800001E-02
 C    2.465500     -0.1320000      -1.198200    
 C    5.353000      0.7341000      -2.066400    
 C   -1.019500      0.3028000      9.9999998E-03
 C   0.1069000     -2.4599999E-02 -0.9736000    
 C   -2.421600      0.2157000     -0.5978000    
 C  -0.8140000       1.643900      0.7179000    
 C  -0.9449000      -2.027800      0.3025000    
 C   -1.217700      -3.093900       1.354000    
 C   -2.644400      0.6550000      -1.902900    
 C   -1.136300       1.776100       2.068700    
 C   -3.476400     -0.3034000      0.1530000    
 C  -0.3039000       2.734000      1.2700000E-02
 C   -1.355400      -4.479400      0.7292000    
 C   -3.922000      0.5755000      -2.457100    
 C  -0.9489000       2.998400       2.714000    
 C   -4.754000     -0.3830000     -0.4014000    
 C  -0.1163000       3.956200      0.6583000    
 C   -4.976700      5.6499999E-02  -1.706300    
 C  -0.4388000       4.088400       2.009000    
 C   -1.584900      -5.547100       1.786700    
 H    3.762100       1.092700      1.6700000E-02
 H    3.338100     -0.4200000       1.723500    
 H    3.217600      -1.816600      0.6443000    
 H    5.409200      -2.286900      0.9260000    
 H    5.588400     -0.9197000       2.037300    
 H    6.853600     -0.9850000     -0.4089000    
 H    6.310000      0.5310000      0.3479000    
 H    2.417000      -1.154300      -1.594000    
 H    2.450700      0.5707000      -2.039000    
 H    4.614900      0.8072000      -2.871300    
 H    6.302100      0.4571000      -2.538700    
 H    5.471900       1.726300      -1.616400    
 H   7.0000002E-03  -2.296800     -0.1730000    
 H   -1.721200      -2.091300     -0.4655000    
 H  -0.4077000      -3.089300       2.094200    
 H   -2.130000      -2.837600       1.906700    
 H   -1.865400       1.118000      -2.500100    
 H   -1.542700      0.9444000       2.637300    
 H   -3.337300     -0.6320000       1.179000    
 H  -5.5799998E-02   2.659300      -1.042400    
 H   -2.192400      -4.487700      2.1400001E-02
 H  -0.4494000      -4.725800      0.1634000    
 H   -4.098900      0.9301000      -3.468400    
 H   -1.201900       3.102100       3.765200    
 H   -5.576600     -0.7817000      0.1850000    
 H   0.2783000       4.805800      0.1088000    
 H   -5.972400     -1.4000000E-03  -2.136300    
 H  -0.2940000       5.040300       2.511200    
 H   -2.500800      -5.348300       2.352300    
 H   -1.682300      -6.531000       1.317200    
 H  -0.7478000      -5.588300       2.491100    


%chk=000018244-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018244

0 1
O 1.448617 0.137183 -0.398963
O -1.157887 -1.282200 0.922404
O 0.324277 -1.387354 -1.735283
N 5.083170 0.396071 -1.265197
C 3.817284 0.690853 -0.524468
C 4.169160 0.501688 0.979875
C 5.506978 -0.285789 0.964261
C 6.199358 0.271312 -0.295671
C 2.741602 -0.279510 -1.032265
C 5.352126 1.224943 -2.447187
C -0.948634 -0.123391 -0.000349
C 0.308867 -0.512779 -0.832362
C -2.199394 0.120789 -0.865447
C -0.678486 1.085963 0.914549
C -1.653140 -2.544769 0.320935
C -1.766989 -3.555239 1.466958
C -2.193394 0.164619 -2.279783
C -0.349991 0.911503 2.279208
C -3.423066 0.337611 -0.177065
C -0.731906 2.395698 0.377641
C -2.283808 -4.927139 0.971847
C -3.387873 0.429568 -2.991556
C -0.081872 2.033708 3.095645
C -4.614281 0.589554 -0.885779
C -0.456547 3.515354 1.190987
C -4.600762 0.640734 -2.300937
C -0.129435 3.339210 2.555925
C -2.414581 -5.956246 2.115201
H 3.460962 1.728813 -0.709285
H 4.317918 1.488274 1.454892
H 3.359693 -0.008473 1.528672
H 5.325074 -1.369338 0.844544
H 6.103186 -0.133663 1.880070
H 6.986706 -0.396409 -0.691938
H 6.672008 1.260958 -0.068040
H 2.960694 -1.321530 -0.739130
H 2.632723 -0.239108 -2.130809
H 4.492694 1.194697 -3.140818
H 6.229839 0.829445 -2.990051
H 5.555593 2.297308 -2.198247
H -0.948909 -2.896022 -0.457533
H -2.639405 -2.368937 -0.153115
H -0.774793 -3.678724 1.943416
H -2.449241 -3.153786 2.241543
H -1.269700 -0.025427 -2.833012
H -0.317546 -0.100521 2.689839
H -3.427242 0.307015 0.918477
H -0.998433 2.542338 -0.675497
H -3.268269 -4.793530 0.479048
H -1.597193 -5.320621 0.195206
H -3.367777 0.462163 -4.086756
H 0.165608 1.887412 4.153531
H -5.549764 0.752623 -0.338840
H -0.502900 4.523268 0.762880
H -5.524448 0.842344 -2.855095
H 0.079378 4.208316 3.190323
H -3.118624 -5.599507 2.890354
H -2.785160 -6.928662 1.742297
H -1.437863 -6.131063 2.604449


