%chk=000026147.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026147

0 1
 O   -1.773900     -0.1229000      0.7294000    
 O   -1.573000      -2.857700       1.265700    
 O   -3.636300     -0.4226000      -1.449000    
 O    7.158400       1.232900      0.1277000    
 N    1.459100      -1.142100     -1.1500000E-02
 C  -0.7909000      -2.241000      0.2306000    
 C   -1.586800      -1.071500     -0.3299000    
 C   0.5269000      -1.794900      0.8994000    
 C   -2.941300      -1.525400     -0.8582000    
 C  -0.5410000      -3.301200     -0.8509000    
 C    2.700800     -0.8038000      0.6700000    
 C    3.670800     -0.1291000     -0.2982000    
 C   -2.700400      0.8335000      0.4077000    
 C   -3.595700      0.6930000     -0.6549000    
 C    4.985000      0.2265000      0.3950000    
 C   -2.731800       1.980600       1.201100    
 C   -4.493600       1.718400     -0.9522000    
 C    5.944400      0.9379000     -0.5501000    
 C   -3.639300       2.999800      0.9116000    
 C   -4.515200       2.871300     -0.1669000    
 C    8.073600       1.918400     -0.7162000    
 H   -1.029000     -0.5714000      -1.133600    
 H   0.3074000      -1.136000       1.750300    
 H    1.002200      -2.682200       1.340500    
 H   -2.845300      -2.273000      -1.649400    
 H   -3.581200      -1.943300     -7.0900001E-02
 H   0.1443000      -4.071600     -0.4768000    
 H   -1.455400      -3.839800      -1.119700    
 H  -0.1007000      -2.868900      -1.755100    
 H    1.038600     -0.2952000     -0.3912000    
 H    2.500500     -0.1299000       1.511900    
 H    3.169000      -1.711500       1.069900    
 H   -1.778400      -2.177200       1.929700    
 H    3.214600      0.7825000     -0.7047000    
 H    3.873600     -0.7946000      -1.146900    
 H    4.796000      0.8668000       1.265600    
 H    5.465100     -0.6789000      0.7869000    
 H   -2.047100       2.092400       2.037300    
 H   -5.185200       1.622800      -1.784800    
 H    6.158700      0.2987000      -1.414800    
 H    5.490800       1.869900     -0.9079000    
 H   -3.661000       3.896700       1.523800    
 H   -5.217900       3.668100     -0.3926000    
 H    8.330300       1.303200      -1.584100    
 H    8.985700       2.115600     -0.1465000    
 H    7.652700       2.874300      -1.042600    


%chk=000026147-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000026147

0 1
O -1.824092 -0.186008 0.738332
O -1.751643 -2.991304 1.297260
O -3.448681 -0.330199 -1.674454
O 7.201057 1.056146 -0.148318
N 1.291033 -0.943683 0.357988
C -0.812041 -2.344966 0.355391
C -1.524829 -1.165674 -0.353071
C 0.417688 -1.822776 1.164130
C -2.835507 -1.532313 -1.059661
C -0.389242 -3.431644 -0.640389
C 2.716816 -0.915349 0.762872
C 3.525805 0.031402 -0.144994
C -2.714426 0.852446 0.372499
C -3.496559 0.784650 -0.812175
C 5.013525 0.109490 0.264032
C -2.805932 1.975386 1.218983
C -4.343272 1.858201 -1.156546
C 5.816879 1.054842 -0.633762
C -3.665462 3.042892 0.879251
C -4.426281 2.987915 -0.314267
C 8.062783 1.934440 -0.934421
H -0.830885 -0.686762 -1.070305
H 0.043277 -1.328314 2.089101
H 0.997693 -2.708852 1.480499
H -2.664349 -2.217120 -1.903377
H -3.543661 -1.988667 -0.343491
H 0.035535 -4.281670 -0.079787
H -1.242206 -3.812572 -1.226633
H 0.381595 -3.033374 -1.322553
H 0.907306 0.011883 0.322220
H 2.858593 -0.605128 1.828674
H 3.118446 -1.943973 0.674509
H -2.049950 -2.292252 1.937946
H 3.076893 1.047197 -0.102976
H 3.428275 -0.314451 -1.192707
H 5.105567 0.457925 1.310976
H 5.474968 -0.895957 0.219114
H -2.197011 1.998886 2.128650
H -4.931100 1.783421 -2.076789
H 5.784102 0.714221 -1.694599
H 5.397045 2.086974 -0.593081
H -3.735428 3.913528 1.539333
H -5.087636 3.817249 -0.585449
H 8.105389 1.619876 -1.999899
H 9.069037 1.860745 -0.492508
H 7.718987 2.990893 -0.891047


