%chk=000054701.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054701

0 1
 O    1.574400       2.030300       1.821200    
 O   7.6600000E-02  -4.362700      -2.159300    
 O   -1.320500      -3.673000     -0.5084000    
 N   -1.772100      0.7669000      0.3977000    
 N   0.5364000      0.2036000      0.7909000    
 N   -1.036500       2.930400      6.3000000E-03
 N   -1.979400       1.817500      -1.732400    
 C   -2.864300     -0.1614000      0.2624000    
 C   -4.111800      0.5111000     -0.2921000    
 C   -3.332300     -0.6696000       1.617900    
 C   -5.248900     -0.4147000      0.1268000    
 C   -4.746800      -1.175300       1.355400    
 C  -0.7644000      0.4697000       1.413900    
 C   -1.620600       1.795400     -0.4709000    
 C   0.6187000     -0.9730000     -7.5900003E-02
 C  -0.9499000       3.921300      -1.022800    
 C   -1.582000       3.177900      -2.206400    
 C    1.620200       1.037400       1.096000    
 C   0.9544000      -2.251800      0.6901000    
 C    1.089100      -3.493400     -0.1952000    
 C    2.937000      0.7047000      0.5312000    
 C    3.301600       1.225100     -0.7013000    
 C    3.792200     -0.1234000       1.242400    
 C  -0.1855000      -3.843900     -0.9309000    
 C    4.551200      0.9103000      -1.235000    
 C    5.041900     -0.4381000      0.7086000    
 C    5.421400      7.8699999E-02 -0.5302000    
 H   -2.581700      -1.004500     -0.3796000    
 H   -4.272800       1.502700      0.1505000    
 H   -4.105900      0.6197000      -1.380500    
 H   -2.720400      -1.485900       2.014600    
 H   -3.365200      0.1330000       2.365900    
 H   -6.162600      0.1485000      0.3424000    
 H   -5.482200      -1.122900     -0.6768000    
 H   -4.736100      -2.251200       1.145200    
 H   -5.394000      -1.017800       2.224100    
 H  -0.9744000     -0.4138000       2.019100    
 H  -0.6948000       1.299600       2.125200    
 H  -0.7715000       3.111400      0.9659000    
 H    1.387000     -0.8076000     -0.8372000    
 H  -0.3168000      -1.082800     -0.6289000    
 H   -1.517300       4.819600     -0.7631000    
 H   8.9100003E-02   4.194600      -1.228300    
 H  -0.8708000       3.081500      -3.033600    
 H   -2.466700       3.707800      -2.574900    
 H    1.885100      -2.127300       1.251000    
 H   0.1748000      -2.433900       1.440500    
 H    1.887700      -3.320900     -0.9262000    
 H    1.370000      -4.360300      0.4125000    
 H    2.629000       1.873300      -1.256300    
 H    3.508300     -0.5241000       2.211500    
 H    4.846600       1.312600      -2.199600    
 H    5.719900      -1.084500       1.258100    
 H    6.394500     -0.1662000     -0.9458000    
 H  -0.7462000      -4.581500      -2.646400    


%chk=000054701-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054701

0 1
O 1.498346 1.987503 1.720945
O 0.169813 -5.488611 -0.843664
O -1.275087 -3.889048 0.009575
N -1.867206 1.021811 0.414113
N 0.449228 0.139416 0.754097
N -0.742459 3.181649 0.258655
N -2.228398 2.551862 -1.406359
C -2.984404 0.163424 -0.084862
C -4.370996 0.868678 -0.035691
C -3.245312 -1.122983 0.738104
C -5.407766 -0.289442 -0.145617
C -4.620233 -1.599852 0.200775
C -0.870010 0.544148 1.364105
C -1.625211 2.222618 -0.269842
C 0.514645 -1.184741 0.089395
C -0.579800 4.256448 -0.745458
C -1.769381 3.941173 -1.725828
C 1.560539 0.938542 0.984340
C 0.952214 -2.308387 1.063038
C 1.171872 -3.661534 0.358054
C 2.873888 0.581985 0.329000
C 3.013167 0.542076 -1.082635
C 4.019137 0.411094 1.146710
C -0.105415 -4.304323 -0.149335
C 4.279285 0.311965 -1.665199
C 5.280233 0.161941 0.562731
C 5.413435 0.108883 -0.844793
H -2.777794 -0.108126 -1.142439
H -4.458760 1.388566 0.938082
H -4.457714 1.621281 -0.832971
H -2.475883 -1.907175 0.636748
H -3.342457 -0.857440 1.811041
H -6.253290 -0.129944 0.547585
H -5.834765 -0.348283 -1.163146
H -4.471387 -2.215369 -0.705839
H -5.147140 -2.232587 0.936687
H -1.279377 -0.329809 1.889580
H -0.626580 1.319217 2.109821
H -0.004969 2.977401 0.945672
H 1.219347 -1.145722 -0.756737
H -0.483513 -1.403276 -0.324120
H -0.664153 5.257195 -0.285719
H 0.405804 4.189116 -1.253152
H -1.466306 4.009952 -2.785967
H -2.605167 4.652874 -1.570668
H 1.903607 -2.008209 1.540701
H 0.200359 -2.421758 1.866379
H 1.869380 -3.560835 -0.495973
H 1.650762 -4.385322 1.045521
H 2.142834 0.726700 -1.723753
H 3.916001 0.493553 2.234012
H 4.380716 0.298949 -2.755972
H 6.158548 0.023325 1.202622
H 6.393966 -0.074275 -1.297985
H -0.683492 -5.897193 -1.155065


