%chk=000155763.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155763

0 1
 O    3.032900      -1.429400     -0.2689000    
 O    3.114100      -4.094400      -1.055200    
 O   -3.598700      -1.648900     -0.2601000    
 O   -4.090200      0.6366000      -1.764000    
 N    2.637900       3.171000      0.3350000    
 N  -0.1541000      -2.868500      0.1800000    
 C    2.886400      0.9699000      7.8100003E-02
 C    1.650300       1.366000     -0.5248000    
 C    3.479100       2.117500      0.6055000    
 C    1.523600       2.744100     -0.3481000    
 C    3.556700     -0.2629000      0.2234000    
 C    2.180500      -3.663200     -6.0899999E-02
 C    2.772700      -2.462500      0.6739000    
 C   0.8518000      -3.354200     -0.7548000    
 C    4.709600       2.096200       1.271900    
 C   0.6255000      0.6764000      -1.206200    
 C    4.788000     -0.3002000      0.8874000    
 C   0.4231000       3.469600     -0.8186000    
 C    5.354100      0.8632000       1.403000    
 C   -1.389000      -2.528900     -0.5139000    
 C  -0.4812000       1.388300      -1.682600    
 C  -0.5788000       2.764300      -1.490600    
 C   -2.419500      -1.981900      0.4609000    
 C   -4.366600     -0.6332000      0.2467000    
 C   -4.608100      0.5080000     -0.5108000    
 C   -4.898800     -0.7595000       1.525500    
 C   -5.391200       1.534800      1.6700000E-02
 C   -5.681900      0.2673000       2.052900    
 C   -5.928000       1.414300       1.298600    
 H    2.049300      -4.486700      0.6511000    
 H    2.814800       4.129500      0.6021000    
 H    3.717100      -2.784600       1.128300    
 H    2.117600      -2.100000       1.473400    
 H    1.021900      -2.638000      -1.567700    
 H   0.4943000      -4.272000      -1.239700    
 H    5.151700       3.002200       1.672800    
 H   0.6965000     -0.3891000      -1.381400    
 H    5.333800      -1.233900      0.9950000    
 H   0.3466000       4.541500     -0.6697000    
 H   0.1879000      -2.037800      0.6604000    
 H    6.313600      0.8139000       1.911400    
 H   -1.805800      -3.416200      -1.007100    
 H   -1.216300      -1.791300      -1.305800    
 H   -1.266900      0.8604000      -2.215400    
 H   -1.446100       3.298600      -1.869900    
 H   -2.667300      -2.736200       1.217000    
 H   -2.014500      -1.096400      0.9695000    
 H    2.742800      -4.885300      -1.481900    
 H   -4.722400      -1.650900       2.120700    
 H   -5.586600       2.431000     -0.5658000    
 H   -6.101600      0.1728000       3.050100    
 H   -6.538200       2.213600       1.709100    
 H   -3.578800     -0.1661000      -1.966500    


%chk=000155763-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155763

0 1
O 2.592935 -1.252962 0.006878
O 2.861046 -4.092447 -1.220090
O -3.799981 -1.175208 -0.021354
O -6.150846 -0.651501 -1.183164
N 3.580144 3.321041 -0.079805
N -0.234139 -2.223978 -0.101201
C 3.177918 1.064048 0.062750
C 2.514798 1.566774 -1.131463
C 3.831503 2.175306 0.692620
C 2.784102 2.980468 -1.187200
C 3.272078 -0.215814 0.667619
C 1.861537 -3.574594 -0.267045
C 2.603365 -2.586203 0.636406
C 0.655384 -2.962660 -1.020734
C 4.574326 2.042505 1.887112
C 1.733184 0.970825 -2.151069
C 4.008024 -0.369870 1.865192
C 2.286611 3.798006 -2.222829
C 4.648993 0.754891 2.454896
C -1.593263 -1.951994 -0.613772
C 1.231858 1.783763 -3.190099
C 1.503909 3.180396 -3.223257
C -2.476725 -1.476656 0.545620
C -4.811411 -0.732049 0.859529
C -6.046429 -0.466006 0.200679
C -4.687553 -0.548155 2.250027
C -7.155556 -0.018662 0.939667
C -5.809100 -0.096326 2.990195
C -7.034267 0.165696 2.338307
H 1.496121 -4.396199 0.386600
H 3.924102 4.254571 0.131628
H 3.642450 -2.942922 0.765438
H 2.102590 -2.522181 1.622061
H 1.057698 -2.340175 -1.852414
H 0.072054 -3.787674 -1.476609
H 5.071223 2.896687 2.357429
H 1.541136 -0.105707 -2.132377
H 4.096952 -1.345028 2.350357
H 2.495838 4.872842 -2.257527
H 0.235341 -1.358540 0.203335
H 5.216113 0.609163 3.380957
H -2.013179 -2.890968 -1.019845
H -1.626886 -1.193568 -1.431184
H 0.628391 1.336556 -3.987583
H 1.102006 3.788288 -4.041627
H -2.560399 -2.269620 1.313449
H -2.060106 -0.561151 1.015324
H 2.418731 -4.707813 -1.858387
H -3.741079 -0.749436 2.760888
H -8.093801 0.179206 0.412899
H -5.717419 0.048099 4.071693
H -7.898823 0.514550 2.912620
H -5.267899 -0.958813 -1.521538


