%chk=000039350.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039350

0 1
 O    4.077600      -2.487500      0.7466000    
 O   -2.227700       3.656100       1.561600    
 N    2.940700     -0.1750000     -0.4621000    
 N   0.8305000       2.664600     -0.3215000    
 C   -2.231200      -1.642900       1.650700    
 C   -2.364300     -0.5289000      0.6420000    
 C   -1.328500      -2.780000       1.173300    
 C   -2.014700      -3.755400      0.2186000    
 C   -2.419900      -3.157800      -1.127600    
 C   -3.501500      -2.082600      -1.027000    
 C   -2.961000     -0.7353000     -0.6157000    
 C    2.775300      0.7563000      -1.576200    
 C    3.118600       2.178900      -1.130500    
 C   -1.995300       1.811000      7.2999999E-02
 C    4.335600     -0.1935000     -1.9999999E-04
 C    2.519700      -1.529100     -0.8472000    
 C   -1.479400       3.160500      0.4434000    
 C   -1.887200      0.7514000      0.9726000    
 C    2.243800       2.670000      2.4900001E-02
 C   2.0099999E-02   3.134000      0.8000000    
 C   -3.065500      0.3437000      -1.510400    
 C    4.486400      -1.181100       1.153400    
 C    2.712500      -2.484500      0.3270000    
 C   -2.584700       1.607100      -1.169000    
 H   -1.803300      -1.241200       2.578200    
 H   -3.227200      -2.014700       1.921000    
 H   -1.009200      -3.352800       2.053200    
 H  -0.4181000      -2.381700      0.7101000    
 H   -1.325400      -4.587700      2.8400000E-02
 H   -2.894900      -4.191000      0.7077000    
 H   -1.535000      -2.771300      -1.648600    
 H   -2.813100      -3.976800      -1.743100    
 H   -3.980200      -1.993800      -2.010700    
 H   -4.298100      -2.385300     -0.3364000    
 H    3.416100      0.4797000      -2.423600    
 H    1.741600      0.7268000      -1.942100    
 H    4.178000       2.299500     -0.8830000    
 H    2.959800       2.842500      -1.992000    
 H    5.007000     -0.4827000     -0.8191000    
 H    4.661000      0.7760000      0.3858000    
 H    1.462300      -1.531100      -1.135900    
 H    3.107900      -1.881200      -1.704700    
 H   -1.635500       3.875100     -0.3743000    
 H   -1.438500      0.9132000       1.950200    
 H    2.422400       2.057600      0.9164000    
 H    2.557700       3.691700      0.2735000    
 H   0.1924000       2.514500       1.688900    
 H   0.3193000       4.151600       1.084600    
 H   -3.523900      0.2061000      -2.487000    
 H    5.536100      -1.241800       1.458100    
 H    3.903900     -0.8717000       2.030100    
 H    2.071600      -2.217200       1.175900    
 H    2.453900      -3.504400      2.4800001E-02
 H   -2.678700       2.420100      -1.883700    
 H   0.6699000       3.256800      -1.135700    
 H   -3.172800       3.519900       1.376200    


%chk=000039350-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039350

0 1
O 3.573558 -2.710598 0.319817
O -2.308999 3.592241 1.650236
N 2.855519 -0.045745 -0.592673
N 0.921182 3.218929 -0.132967
C -2.709063 -1.629263 1.661733
C -2.426745 -0.580235 0.593823
C -1.697481 -2.812176 1.694309
C -1.926430 -3.885399 0.604220
C -1.776432 -3.402008 -0.857633
C -2.799159 -2.309124 -1.283087
C -2.468864 -0.903787 -0.797451
C 2.553817 1.055039 -1.542951
C 3.089789 2.417781 -1.051951
C -1.834216 1.761446 0.036847
C 4.246533 -0.549797 -0.703796
C 1.893434 -1.173746 -0.681744
C -1.482639 3.169276 0.498364
C -2.112088 0.743478 0.983559
C 2.329341 2.907381 0.199523
C -0.023242 3.316870 0.993735
C -2.192187 0.117080 -1.739813
C 4.522160 -1.586678 0.397340
C 2.194922 -2.201316 0.421285
C -1.882005 1.434755 -1.336618
H -2.707887 -1.134828 2.651300
H -3.727746 -2.050879 1.524044
H -1.774090 -3.306342 2.683419
H -0.667212 -2.410274 1.621689
H -1.221508 -4.723739 0.776355
H -2.946420 -4.306115 0.732736
H -0.748421 -3.024978 -1.030487
H -1.906560 -4.278062 -1.524125
H -2.864372 -2.293003 -2.387484
H -3.801877 -2.615272 -0.915610
H 2.952283 0.831264 -2.564487
H 1.454989 1.146543 -1.621630
H 4.171167 2.354920 -0.818981
H 2.987976 3.160781 -1.870378
H 4.428379 -1.021269 -1.704084
H 4.954940 0.292425 -0.594236
H 0.867734 -0.780523 -0.552020
H 1.945589 -1.684847 -1.677462
H -1.638466 3.873419 -0.350690
H -2.079096 0.995244 2.051059
H 2.331033 2.084184 0.938275
H 2.871503 3.770168 0.658135
H 0.193682 2.499220 1.705067
H 0.037145 4.274106 1.563023
H -2.226755 -0.125758 -2.809180
H 5.522009 -2.037652 0.282291
H 4.442542 -1.098744 1.393139
H 2.043658 -1.728467 1.416611
H 1.547617 -3.089884 0.329380
H -1.673874 2.205060 -2.088578
H 0.850776 4.026157 -0.767690
H -3.252542 3.357444 1.459396


