%chk=000041988.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041988

0 1
 O    3.011400      -1.373600      0.5579000    
 O   0.8655000     -0.4290000       2.151700    
 O    2.217400      -1.223400      -2.143600    
 O   -1.708200      0.4460000      -2.495500    
 O    3.829700      0.7874000      0.5657000    
 N   0.1760000     -0.2884000      -1.315300    
 N    1.818000     -0.8591000      9.4599999E-02
 C  -0.3818000     -2.6600000E-02  5.6400001E-02
 C   -1.533800     -0.9740000      0.4578000    
 C  -0.6602000       1.483900      0.2153000    
 C   0.8308000     -0.4551000      0.9281000    
 C    1.501500     -0.8355000      -1.229600    
 C  -0.5700000     -2.6200000E-02  -2.482700    
 C   -2.024700     -0.9594000       1.762800    
 C   -1.959400       1.971000      7.7399999E-02
 C   -2.081400      -1.843300     -0.4849000    
 C   0.3880000       2.359700      0.4963000    
 C   -3.064900      -1.815000       2.125400    
 C   -2.211000       3.335500      0.2208000    
 C   -3.121600      -2.698900     -0.1222000    
 C   0.1363000       3.724100      0.6396000    
 C   9.8300003E-02 -0.3844000      -3.784800    
 C   -3.613400      -2.684800       1.183000    
 C   -1.163100       4.212200      0.5020000    
 C    3.975500     -0.4119000      0.7611000    
 C    5.245100      -1.031000       1.262900    
 H   -1.631100     -0.2770000       2.510500    
 H   -2.796700       1.317900     -0.1494000    
 H   -1.717800      -1.941300      -1.498800    
 H    1.413100       2.019500      0.5940000    
 H   -3.451000      -1.800900       3.140500    
 H   -3.222400       3.716000      0.1114000    
 H   -3.542100      -3.384200     -0.8526000    
 H   0.9527000       4.407500      0.8546000    
 H    1.021500      0.1878000      -3.906700    
 H  -0.5682000     -0.1325000      -4.615600    
 H   0.2994000      -1.457900      -3.823900    
 H   -4.422300      -3.352100       1.465700    
 H   -1.358700       5.274800      0.6122000    
 H    5.623200      -1.745300      0.5274000    
 H    5.996700     -0.2502000       1.409900    
 H    5.061600      -1.524500       2.220400    


%chk=000041988-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041988

0 1
O 3.016954 -1.480961 0.529013
O 0.845878 -0.456644 2.226981
O 2.239432 -1.151103 -2.213888
O -1.782030 0.386044 -2.386951
O 3.705066 0.781733 0.595363
N 0.146062 -0.336287 -1.323904
N 1.758921 -0.976497 0.105673
C -0.414712 -0.068089 0.062259
C -1.589650 -0.997210 0.423159
C -0.671135 1.445844 0.246239
C 0.775223 -0.505418 0.986702
C 1.464212 -0.849353 -1.285925
C -0.593600 -0.002066 -2.504121
C -2.274654 -0.776658 1.645192
C -1.973068 1.988515 0.130025
C -1.924384 -2.125723 -0.361232
C 0.428359 2.314836 0.466082
C -3.297565 -1.655674 2.057599
C -2.175916 3.379027 0.255645
C -2.950558 -3.003277 0.051840
C 0.222490 3.705942 0.586175
C 0.111847 -0.129228 -3.838758
C -3.644076 -2.770879 1.260631
C -1.080944 4.243150 0.485680
C 3.990806 -0.406715 0.764132
C 5.273473 -1.047873 1.212791
H -1.997315 0.071921 2.278317
H -2.819001 1.328496 -0.077313
H -1.398335 -2.323886 -1.300519
H 1.448411 1.919836 0.550541
H -3.818740 -1.472129 3.003452
H -3.187857 3.787642 0.160527
H -3.207366 -3.866429 -0.572017
H 1.078449 4.366415 0.762659
H 1.025351 0.489054 -3.870924
H -0.593383 0.196134 -4.617902
H 0.438067 -1.165731 -4.030240
H -4.440072 -3.452687 1.579754
H -1.240825 5.322904 0.582574
H 5.629825 -1.757225 0.446458
H 6.031457 -0.271468 1.387444
H 5.102802 -1.620483 2.140587


