%chk=000149592.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149592

0 1
 O    3.232700       2.667800     -0.9732000    
 O    2.859800       2.653700       1.190100    
 N   -2.563000       2.644600     -3.7500001E-02
 N   0.7566000       1.134700     -0.2970000    
 N    2.311700      -2.749300     -5.4099999E-02
 N    3.201300       2.079900      0.1314000    
 C   -4.889400       2.013100     -0.4599000    
 C   -4.673900      0.5405000     -9.6100003E-02
 C   -3.636900       2.686400      -1.020000    
 C  -0.2067000       3.235700      0.4529000    
 C   -1.356600       3.275700     -0.5585000    
 C   0.2520000       1.829900      0.8391000    
 C   -5.932900     -0.1441000      0.4407000    
 C    1.313500     -0.1700000     -0.2094000    
 C    2.677300     -0.3726000      2.4800001E-02
 C   -5.643500      -1.587600      0.8551000    
 C   0.4493000      -1.258300     -0.3659000    
 C    3.139900      -1.697500      9.5799997E-02
 C   0.9989000      -2.548600     -0.2794000    
 C    3.568600      0.7026000      0.1856000    
 C  -0.9255000      -1.084000     -0.6021000    
 C   -6.897200      -2.284100       1.360000    
 C    4.496700      -1.905700      0.3284000    
 C   0.1436000      -3.636300     -0.4343000    
 C    4.920500      0.4675000      0.4174000    
 C    5.385200     -0.8395000      0.4889000    
 C   -1.759100      -2.188000     -0.7535000    
 C   -1.223100      -3.466700     -0.6693000    
 H   -5.688900       2.084800      -1.207500    
 H   -5.238800       2.559800      0.4253000    
 H   -3.883400      0.4571000      0.6594000    
 H   -4.323600      1.4000000E-03 -0.9847000    
 H   -3.334000       2.170600      -1.939000    
 H   -3.879400       3.723600      -1.280300    
 H   0.6354000       3.801700      3.7200000E-02
 H  -0.5137000       3.764900       1.364100    
 H   -1.043200       2.787000      -1.488500    
 H   -1.562800       4.326200     -0.7984000    
 H   0.9210000       1.840400       1.699900    
 H  -0.6215000       1.285100       1.220400    
 H   -6.713900     -0.1268000     -0.3288000    
 H   -6.315400      0.4151000       1.303100    
 H   -2.856000       3.113100      0.8193000    
 H    1.084400       1.679800      -1.088800    
 H   -4.879200      -1.604800       1.640600    
 H   -5.244500      -2.146800      1.0000000E-03
 H   -1.379800     -0.1014000     -0.6882000    
 H   -7.307300      -1.768000       2.234100    
 H   -6.667600      -3.314100       1.650300    
 H   -7.669100      -2.313600      0.5844000    
 H    4.885300      -2.920700      0.3888000    
 H   0.5396000      -4.648400     -0.3728000    
 H    5.624800       1.286100      0.5445000    
 H    6.438200      -1.034400      0.6694000    
 H   -2.819100      -2.052700     -0.9417000    
 H   -1.864800      -4.335000     -0.7872000    


%chk=000149592-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149592

0 1
O 2.813419 2.670875 -1.189931
O 4.767936 2.996250 -0.062403
N -2.585378 2.440378 0.076202
N 1.061202 1.409968 0.420904
N 2.400735 -2.636848 0.013588
N 3.840340 2.217669 -0.514797
C -4.859247 1.814797 -0.783779
C -4.802891 0.335709 -0.343970
C -3.482785 2.430099 -1.109031
C -0.457780 3.235818 1.130051
C -1.351161 3.237145 -0.125460
C 0.134705 1.855933 1.486693
C -6.189941 -0.253740 -0.004935
C 1.486240 0.124249 0.139706
C 2.879190 -0.172729 -0.168859
C -6.128469 -1.734554 0.435779
C 0.551427 -0.986702 0.165257
C 3.262790 -1.591517 -0.176353
C 1.068413 -2.344245 0.145166
C 3.984061 0.756992 -0.330400
C -0.874746 -0.807236 0.141799
C -7.513006 -2.320155 0.787287
C 4.640952 -1.976823 -0.330490
C 0.158521 -3.453214 0.244274
C 5.322629 0.344373 -0.437459
C 5.657499 -1.034997 -0.444774
C -1.733541 -1.907467 0.195784
C -1.216097 -3.240981 0.281255
H -5.503814 1.909474 -1.680779
H -5.348512 2.418393 0.011535
H -4.134853 0.246375 0.535045
H -4.336018 -0.262215 -1.154969
H -2.988476 1.843034 -1.909092
H -3.635500 3.461408 -1.515848
H 0.366463 3.961658 0.977290
H -1.035382 3.601022 2.003427
H -0.792416 2.796100 -0.973795
H -1.575071 4.296278 -0.407488
H 0.699865 1.942836 2.440438
H -0.671714 1.128405 1.649948
H -6.859116 -0.163156 -0.886453
H -6.658723 0.346802 0.803135
H -3.099253 2.778746 0.906125
H 1.600996 2.166286 -0.020334
H -5.455320 -1.824351 1.313551
H -5.667134 -2.335913 -0.374857
H -1.308749 0.193458 0.028103
H -7.983997 -1.754511 1.613444
H -7.438536 -3.377449 1.101688
H -8.196118 -2.273682 -0.081835
H 4.837114 -3.052886 -0.338111
H 0.597189 -4.455369 0.261268
H 6.094312 1.110433 -0.548344
H 6.701881 -1.340888 -0.555683
H -2.815541 -1.749734 0.153405
H -1.906098 -4.089804 0.343980


