%chk=000152285.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152285

0 1
 O   -3.158600      -1.359400      0.5769000    
 O    4.094300       1.943300      0.2921000    
 O   -1.683900       2.067900     -0.2237000    
 O   -3.866100       1.409500     -0.5809000    
 N   0.2418000      8.0000004E-03   1.006200    
 C  -0.5342000      -1.653000     -0.2522000    
 C  -0.8691000     -0.7324000      0.7176000    
 C   -2.202600     -0.6206000       1.376000    
 C   0.8298000      -1.450500     -0.5911000    
 C   -1.544800      -2.616400     -0.7604000    
 C    1.293100     -0.4024000      0.2125000    
 C   -2.718000      -2.685000      0.2314000    
 C   -2.702400      0.8127000       1.468300    
 C    2.609200      6.9300003E-02  0.1492000    
 C    1.722200      -2.053700      -1.499500    
 C    3.110200       1.185200       1.004300    
 C    3.475000     -0.5447000     -0.7603000    
 C    3.040500      -1.590000      -1.572700    
 C   -2.855500       1.448100      0.1073000    
 C    3.728000      0.6933000       2.316400    
 C   -1.670900       2.721700      -1.496900    
 C  -0.3380000       3.349200      -1.720600    
 H   -2.169900      -1.071300       2.374800    
 H   -1.908100      -2.254400      -1.729600    
 H   -1.113400      -3.611800     -0.9055000    
 H   0.2888000      0.7452000       1.696000    
 H   -3.560900      -3.211700     -0.2267000    
 H   -2.443400      -3.223700       1.146800    
 H   -2.052600       1.437000       2.092900    
 H   -3.694600      0.8367000       1.936300    
 H    1.398300      -2.870400      -2.138400    
 H    2.291400       1.878500       1.227600    
 H    4.512500     -0.2296000     -0.8449000    
 H    3.733100      -2.054200      -2.269800    
 H    4.601800      5.9400000E-02   2.126900    
 H    3.007100      0.1195000       2.907600    
 H    4.076900       1.540600       2.916600    
 H    4.372900       2.675600      0.8680000    
 H   -1.872600       1.984400      -2.282100    
 H   -2.453300       3.488800      -1.517000    
 H  -0.2963000       3.857400      -2.688200    
 H  -0.1121000       4.077000     -0.9340000    
 H   0.4575000       2.596900      -1.687300    


%chk=000152285-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152285

0 1
O -3.226929 -1.539716 0.580401
O 4.145183 1.938577 -0.006552
O -1.618670 2.239755 -0.008874
O -3.704047 1.566456 -0.809220
N 0.196273 0.022497 0.861345
C -0.546863 -1.850295 -0.228785
C -0.906148 -0.822500 0.637876
C -2.257025 -0.694781 1.300514
C 0.836369 -1.625568 -0.606892
C -1.521887 -2.931128 -0.626241
C 1.271553 -0.434531 0.076593
C -2.715737 -2.910668 0.356773
C -2.872594 0.728470 1.372883
C 2.573150 0.102262 -0.077896
C 1.746790 -2.304676 -1.458186
C 3.012900 1.326869 0.712918
C 3.447933 -0.588503 -0.942846
C 3.041509 -1.773902 -1.620662
C -2.825062 1.517175 0.074448
C 3.414606 0.959316 2.161545
C -1.410968 3.018364 -1.271703
C 0.005127 3.583562 -1.228231
H -2.190379 -1.061220 2.354050
H -1.883390 -2.767449 -1.660474
H -1.050804 -3.934204 -0.602898
H 0.096578 0.981539 1.194960
H -3.582819 -3.463914 -0.038734
H -2.412719 -3.351222 1.332240
H -2.349889 1.301041 2.159515
H -3.928598 0.601778 1.664215
H 1.445910 -3.216593 -1.986335
H 2.174157 2.061204 0.752199
H 4.450104 -0.178249 -1.096039
H 3.755457 -2.276725 -2.282751
H 4.280261 0.274408 2.146399
H 2.584128 0.450196 2.683137
H 3.682356 1.861974 2.745544
H 4.565422 2.616373 0.580912
H -1.568427 2.336676 -2.126157
H -2.182626 3.808436 -1.313544
H 0.186769 4.195492 -2.130420
H 0.149284 4.227782 -0.343076
H 0.756863 2.775642 -1.212053


