%chk=000061121.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061121

0 1
 O    2.871100      -1.908200     -0.1283000    
 O    1.303200      -1.577600       1.535700    
 O   -7.275400     -0.3194000      0.7125000    
 N   -1.055700      0.4115000     -0.8141000    
 N   -4.761700      0.4880000     -0.3509000    
 C    1.814800      0.1929000     -3.7700001E-02
 C    1.288800      2.1500001E-02  -1.485900    
 C   0.7649000       1.008800      0.7593000    
 C  -0.1580000     -0.4812000      -1.552900    
 C  -0.6679000      0.4861000      0.5971000    
 C   -2.442700     -3.5300002E-02 -0.9420000    
 C    3.196100      0.8630000      5.3199999E-02
 C    1.944500      -1.190500      0.5684000    
 C   -3.374400      0.9247000     -0.2082000    
 C    3.791000       1.057000       1.297000    
 C    3.845300       1.271700      -1.108800    
 C   -4.953600     -0.8424000      0.2426000    
 C   -5.679200       1.453500      0.2702000    
 C   -6.410300      -1.271200      9.2000000E-02
 C   -7.118900      0.9706000      0.1200000    
 C    5.043900       1.664500       1.379700    
 C    5.098300       1.879100      -1.026200    
 C    5.697600       2.075400      0.2181000    
 C    3.095200      -3.241800      0.3403000    
 C    4.143000      -3.901100     -0.5310000    
 H    1.304300      0.9909000      -2.003900    
 H    1.918900     -0.6588000      -2.073100    
 H    1.001900       1.026700       1.831000    
 H   0.7955000       2.056300      0.4257000    
 H  -0.4546000     -0.5105000      -2.608800    
 H  -0.2176000      -1.510100      -1.175000    
 H  -0.8046000     -0.4773000       1.100200    
 H   -1.268000       1.218100       1.143600    
 H   -2.502800      -1.056500     -0.5539000    
 H   -2.723700     -6.5899998E-02  -2.002600    
 H   -3.162800      0.9897000      0.8628000    
 H   -3.258100       1.930100     -0.6334000    
 H    3.303500      0.7393000       2.214300    
 H    3.434000       1.135200      -2.101900    
 H   -4.367500      -1.615500     -0.2595000    
 H   -4.681700     -0.8339000       1.306000    
 H   -5.445300       1.571200       1.336300    
 H   -5.582000       2.434300     -0.2093000    
 H   -6.569000      -2.235000      0.5864000    
 H   -6.691700      -1.388900     -0.9618000    
 H   -7.424200      0.9294000     -0.9328000    
 H   -7.798100       1.657700      0.6347000    
 H    5.511500       1.815900       2.348200    
 H    5.609300       2.197100      -1.930400    
 H    6.673700       2.547300      0.2823000    
 H    2.159200      -3.808900      0.2875000    
 H    3.443600      -3.209900       1.378700    
 H    5.079200      -3.333800     -0.5030000    
 H    3.816300      -3.923400      -1.575900    
 H    4.339700      -4.924600     -0.2000000    


%chk=000061121-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000061121

0 1
O 2.746468 -2.038492 -0.278507
O 2.165579 -1.441463 1.887460
O -7.651278 -0.126704 0.136135
N -0.997782 0.267493 -0.427732
N -4.807278 0.350158 -0.284457
C 1.956830 0.245656 0.059894
C 1.317427 0.112224 -1.348312
C 0.941957 0.996660 0.976676
C -0.080952 -0.528122 -1.283679
C -0.461048 0.359644 0.956239
C -2.379393 -0.274042 -0.472645
C 3.314888 0.998005 0.047031
C 2.264516 -1.142329 0.673014
C -3.419425 0.714231 0.097519
C 4.005188 1.205227 1.272172
C 3.895007 1.497681 -1.145225
C -5.295615 -0.882159 0.391045
C -5.756420 1.468388 -0.038183
C -6.708551 -1.231459 -0.104524
C -7.160293 1.088890 -0.535448
C 5.232403 1.900065 1.304442
C 5.123208 2.197848 -1.114106
C 5.797207 2.404390 0.109669
C 3.197620 -3.368036 0.239893
C 3.679843 -4.168901 -0.964627
H 1.208540 1.126353 -1.776722
H 1.963345 -0.485816 -2.013902
H 1.311092 1.014859 2.016460
H 0.874661 2.039829 0.615859
H -0.508534 -0.571567 -2.302578
H 0.007665 -1.586340 -0.919357
H -0.419690 -0.650288 1.440190
H -1.140513 0.983933 1.562627
H -2.439488 -1.260378 0.056711
H -2.645879 -0.450076 -1.531474
H -3.317872 0.799682 1.209583
H -3.195006 1.707849 -0.332846
H 3.586327 0.807360 2.204091
H 3.398385 1.344019 -2.107341
H -4.616883 -1.722939 0.160287
H -5.317574 -0.751937 1.503891
H -5.814632 1.727057 1.050077
H -5.402771 2.363981 -0.583511
H -7.120148 -2.094804 0.444311
H -6.672257 -1.461343 -1.191577
H -7.132120 0.923629 -1.634260
H -7.894734 1.875818 -0.296303
H 5.748279 2.046574 2.260215
H 5.552637 2.579104 -2.047729
H 6.749182 2.946510 0.133054
H 2.346914 -3.846381 0.758222
H 3.997343 -3.192215 0.982062
H 4.513703 -3.653788 -1.471262
H 2.865193 -4.314676 -1.694684
H 4.033532 -5.163061 -0.635335


