%chk=000008548.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008548

0 1
 O   0.5963000      -1.190500       2.474600    
 O   -3.276800       2.927100      0.4158000    
 N    1.481300     -0.2250000      -1.025900    
 N   -2.985300      -2.490300     -0.6472000    
 C    3.718100      0.6274000      1.9099999E-02
 C    1.645000     -0.7799000      0.3427000    
 C    2.893400     -0.1921000       1.038400    
 C    2.826500       1.800300     -0.4393000    
 C    3.971500     -0.2720000      -1.211300    
 C    1.502700       1.254000     -0.9979000    
 C    2.629700     -0.6799000      -1.843500    
 C   0.3851000     -0.6050000       1.193800    
 C    4.999300       1.112600      0.6241000    
 C  -0.8215000      -1.236000      0.5458000    
 C    6.212500      0.8096000      0.1504000    
 C   -1.958600     -0.4929000      0.2266000    
 C  -0.7567000      -2.590000      0.2759000    
 C   -3.036400      -1.171700     -0.3797000    
 C   -2.046000      0.8844000      0.4911000    
 C   -1.860800      -3.166600     -0.3185000    
 C   -4.174700     -0.4376000     -0.7017000    
 C   -3.196300       1.593900      0.1584000    
 C   -4.261800      0.9317000     -0.4387000    
 C   -4.486500       3.588600      4.7100000E-02
 H    1.841100      -1.857500      0.2498000    
 H    2.622000      0.4616000       1.877200    
 H    3.498200      -1.008800       1.454700    
 H    3.337600       2.390900      -1.210800    
 H    2.617800       2.480000      0.3969000    
 H    4.516900      -1.181700     -0.9272000    
 H    4.559100      0.2494000      -1.977900    
 H   0.6628000       1.651900     -0.4220000    
 H    1.348000       1.638300      -2.014500    
 H    2.548800     -0.2681000      -2.857700    
 H    2.590100      -1.769200      -1.969800    
 H   0.2596000      0.4535000       1.406300    
 H    4.932300       1.753800       1.499900    
 H    7.089500       1.208700      0.6519000    
 H    6.402900      0.1816000     -0.7095000    
 H    1.188700     -0.6148000       2.985600    
 H   0.1006000      -3.203700      0.5258000    
 H   -1.260600       1.461200      0.9626000    
 H   -1.876800      -4.226000     -0.5525000    
 H   -5.022500     -0.9342000      -1.170400    
 H   -5.189200       1.415100     -0.7264000    
 H   -5.344200       3.198500      0.6054000    
 H   -4.647700       3.557500      -1.035800    
 H   -4.376400       4.642100      0.3242000    


%chk=000008548-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000008548

0 1
O 0.865798 -1.620403 2.499907
O -3.132667 2.851661 -0.094155
N 1.254227 0.343585 -0.748705
N -3.077201 -2.776162 -0.336634
C 3.763760 0.646440 -0.017558
C 1.577739 -0.613584 0.354222
C 2.960416 -0.245295 0.997330
C 3.027533 2.025573 -0.077521
C 3.667776 -0.000080 -1.429066
C 1.501441 1.756943 -0.321081
C 2.165800 0.034859 -1.895179
C 0.424172 -0.735950 1.397957
C 5.180432 0.833543 0.488834
C -0.817421 -1.387155 0.803908
C 6.334614 0.494684 -0.138013
C -1.942233 -0.634167 0.298667
C -0.872880 -2.782930 0.728439
C -3.052964 -1.388639 -0.263520
C -2.034197 0.788770 0.324749
C -2.008701 -3.431870 0.154315
C -4.188982 -0.684351 -0.769582
C -3.163561 1.447748 -0.175892
C -4.258082 0.708446 -0.731746
C -4.288499 3.592687 -0.603724
H 1.666104 -1.610654 -0.118558
H 2.832345 0.338178 1.935758
H 3.537492 -1.155132 1.242439
H 3.466442 2.633647 -0.890561
H 3.185858 2.580404 0.867527
H 4.047205 -1.039216 -1.388605
H 4.307524 0.556262 -2.139440
H 0.922741 1.953711 0.598383
H 1.098667 2.424019 -1.103191
H 2.009145 0.814852 -2.662063
H 1.861437 -0.931299 -2.335058
H 0.185938 0.266995 1.808703
H 5.243084 1.298333 1.487825
H 7.308308 0.675783 0.331012
H 6.349295 0.028936 -1.129900
H 1.655001 -1.212032 2.938377
H -0.054501 -3.379295 1.140761
H -1.223806 1.404108 0.721253
H -2.044443 -4.526559 0.098395
H -5.003243 -1.285499 -1.185490
H -5.141243 1.221058 -1.124176
H -5.212494 3.333988 -0.050830
H -4.440644 3.413128 -1.685865
H -4.043930 4.652126 -0.436751


