%chk=000057008.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057008

0 1
 O   -3.884800     -0.4740000     -5.4099999E-02
 O   -1.089800       2.427500       1.187300    
 O   -3.410500       1.237100       1.405400    
 N    3.051800      0.9296000      0.4568000    
 N   0.4214000       1.762600     -0.4252000    
 C    4.155000       1.276100     -0.4405000    
 C    3.429300      4.6000000E-02   1.564900    
 C    4.240400      0.2788000      -1.599400    
 C    4.361500      -1.126100       1.242600    
 C    4.790300      -1.101200      -1.251800    
 C    4.090300      -1.808500     -9.4099998E-02
 C    2.392700       2.128100      0.9792000    
 C    1.449700       2.709800     -6.3800000E-02
 C   -1.752400      0.5930000     -0.3030000    
 C   -2.127100      0.9595000      -1.776700    
 C  -0.7949000       1.694500      0.2440000    
 C   -1.033900     -0.7663000     -0.1470000    
 C   -3.092300      0.5115000      0.4718000    
 C   -2.838100       2.303600      -1.934800    
 C  -0.6490000      -1.210500       1.118000    
 C  -0.7707000      -1.549300      -1.271100    
 C  -6.9999998E-04  -2.437600       1.259000    
 C  -0.1225000      -2.776400      -1.129900    
 C   0.2625000      -3.220400      0.1351000    
 C   -5.167300     -0.6332000      0.5606000    
 C   -5.911000      -1.754400     -0.1333000    
 H    4.000000       2.260300     -0.8986000    
 H    5.110800       1.354000      9.2699997E-02
 H    3.902000      0.6237000       2.371200    
 H    2.505900     -0.3727000       1.985600    
 H    3.248500      0.1667000      -2.057500    
 H    4.882200      0.7097000      -2.378600    
 H    5.406100     -0.7935000       1.287200    
 H    4.247800      -1.868500       2.043000    
 H    5.862000      -1.015700      -1.032300    
 H    4.713000      -1.734200      -2.144600    
 H    3.015400      -1.895200     -0.2840000    
 H    4.485200      -2.830700     -4.2300001E-02
 H    3.124000       2.879100       1.303700    
 H    1.790300       1.876000       1.862700    
 H   0.9771000       3.613300      0.3378000    
 H    1.964000       2.998100     -0.9853000    
 H   -1.230400      0.9944000      -2.408100    
 H   -2.781100      0.1937000      -2.214000    
 H   0.6209000       1.117700      -1.183300    
 H   -2.218700       3.131800      -1.578100    
 H   -3.055200       2.485200      -2.992700    
 H   -3.789500       2.324100      -1.395300    
 H  -0.8454000     -0.6135000       2.004500    
 H   -1.047400      -1.250800      -2.275800    
 H   0.3009000      -2.782500       2.243700    
 H   8.4100001E-02  -3.386100      -2.004700    
 H   0.7689000      -4.174800      0.2447000    
 H   -5.036100     -0.8767000       1.620800    
 H   -5.734300      0.2998000      0.4682000    
 H   -6.033400      -1.533600      -1.198900    
 H   -5.346700      -2.690400     -6.5800004E-02
 H   -6.898200      -1.903800      0.3125000    


%chk=000057008-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057008

0 1
O -4.081131 -0.162080 -0.288214
O -1.532065 2.706723 0.499627
O -3.106140 0.427773 1.732218
N 3.207937 0.976116 0.640313
N 0.445125 1.520667 0.230522
C 4.011250 1.420067 -0.532703
C 3.880413 0.025777 1.568274
C 3.798883 0.515624 -1.771060
C 4.716505 -1.078081 0.878628
C 4.433244 -0.891851 -1.679664
C 4.089158 -1.691888 -0.398409
C 2.539660 2.079703 1.378415
C 1.323471 2.633408 0.607371
C -1.700267 0.374560 -0.321948
C -1.961419 0.610452 -1.848426
C -0.925017 1.630439 0.210623
C -0.935198 -0.952943 -0.057449
C -3.009771 0.258819 0.497088
C -2.723133 1.899709 -2.218796
C -0.615615 -1.313322 1.282212
C -0.544553 -1.831408 -1.100139
C 0.067291 -2.513415 1.566851
C 0.142733 -3.034560 -0.814634
C 0.451140 -3.382820 0.518287
C -5.364952 -0.398904 0.443790
C -6.381690 -0.867975 -0.591406
H 3.689340 2.445351 -0.796298
H 5.096417 1.489651 -0.285450
H 4.549564 0.563980 2.287539
H 3.080048 -0.449680 2.170010
H 2.705641 0.420147 -1.924426
H 4.208003 1.032128 -2.664405
H 5.722057 -0.687193 0.623635
H 4.883162 -1.868380 1.636966
H 5.538284 -0.797391 -1.741945
H 4.121286 -1.473845 -2.570418
H 2.991513 -1.775198 -0.279991
H 4.475845 -2.723121 -0.523794
H 3.236531 2.919702 1.616613
H 2.182233 1.668169 2.340766
H 0.747657 3.340527 1.230078
H 1.650560 3.189436 -0.295456
H -0.975444 0.615153 -2.354912
H -2.528319 -0.256833 -2.232610
H 0.927806 0.631454 0.052115
H -2.200348 2.805852 -1.872193
H -2.833860 1.956777 -3.317775
H -3.732451 1.904060 -1.774174
H -0.927387 -0.654040 2.100068
H -0.775863 -1.592401 -2.141603
H 0.294513 -2.773734 2.606906
H 0.432348 -3.699088 -1.636712
H 0.979885 -4.317171 0.737861
H -5.178765 -1.152123 1.230779
H -5.659503 0.545687 0.935209
H -6.533908 -0.102355 -1.371416
H -6.047291 -1.800171 -1.078029
H -7.352813 -1.061243 -0.099910


