%chk=000114456.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114456

0 1
 O    1.040900       1.921100      0.1466000    
 O   -3.628900     -0.9760000     -0.2967000    
 N    3.463500      -1.415600     -0.1567000    
 C    1.159500     -0.8912000      0.6359000    
 C  -0.1263000     -0.1689000      0.2618000    
 C    2.197300     -0.7740000     -0.4985000    
 C    1.696200     -0.3848000       1.981000    
 C  -0.1061000       1.193600      3.9900001E-02
 C   -1.286200     -0.9115000      0.1562000    
 C   -2.473900     -0.2645000     -0.1851000    
 C   -1.293800       1.840400     -0.3015000    
 C   -2.477800       1.111500     -0.4139000    
 C    4.443600      -1.222700      -1.215200    
 C   0.9455000       3.321700     -0.1046000    
 C   -3.553600      -2.379100     -4.9100000E-02
 H   0.9400000      -1.959800      0.7707000    
 H    1.783500      -1.232400      -1.406800    
 H    2.405900      0.2707000     -0.7441000    
 H    2.480300      -1.050200       2.359300    
 H   0.9028000     -0.3609000       2.736900    
 H    2.129600      0.6176000       1.918000    
 H   -1.228000      -1.977300      0.3441000    
 H    3.311300      -2.412700     -8.1000002E-03
 H   -1.373700       2.904700     -0.4937000    
 H   -3.400500       1.619800     -0.6804000    
 H    4.664400     -0.1608000      -1.365300    
 H    4.104700      -1.656100      -2.161700    
 H    5.380700      -1.715100     -0.9372000    
 H   0.2981000       3.819800      0.6251000    
 H   0.6467000       3.527300      -1.138100    
 H    1.949100       3.740300      2.4300000E-02
 H   -2.909200      -2.882600     -0.7777000    
 H   -4.562100      -2.784800     -0.1814000    
 H   -3.257900      -2.590600      0.9842000    


%chk=000114456-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114456

0 1
O 1.011329 2.020387 0.096636
O -3.731315 -1.025599 -0.275013
N 3.431571 -1.601378 -0.253569
C 1.230640 -0.812274 0.618057
C -0.085880 -0.125956 0.247080
C 2.303894 -0.676667 -0.500475
C 1.780791 -0.340873 1.989762
C -0.187266 1.274450 0.000851
C -1.267714 -0.901690 0.153387
C -2.517520 -0.317300 -0.168152
C -1.436088 1.861865 -0.320930
C -2.598529 1.071585 -0.405691
C 4.579725 -1.424602 -1.161375
C 0.930426 3.462322 -0.131998
C -3.692389 -2.465454 -0.024421
H 1.004542 -1.897787 0.706652
H 1.818086 -0.843939 -1.495266
H 2.695367 0.355899 -0.502898
H 2.747527 -0.838137 2.182660
H 1.076476 -0.587837 2.805240
H 1.940130 0.750514 1.985669
H -1.189812 -1.977300 0.344084
H 3.112281 -2.580089 -0.228332
H -1.517333 2.936405 -0.508559
H -3.568365 1.513564 -0.652369
H 5.017364 -0.420585 -1.007919
H 4.331540 -1.516837 -2.248340
H 5.361375 -2.168936 -0.924333
H 0.261557 3.953119 0.602354
H 0.582142 3.692003 -1.158455
H 1.958186 3.832770 0.000358
H -3.034796 -2.986090 -0.748833
H -4.729256 -2.809849 -0.154312
H -3.353082 -2.688805 1.006653


