%chk=000083181.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083181

0 1
 O  -0.7986000       1.102700     -0.2773000    
 O    3.007500       2.629300       1.094300    
 O    1.194200       2.956000      -1.085100    
 O    4.777500      0.5106000       1.049300    
 O    4.365000     -0.2960000      -1.663300    
 O   -1.727100      0.3111000       1.679500    
 O    3.345900      -2.597400      0.9104000    
 O    5.150900      -2.576200     -0.4648000    
 N   -3.977800     -0.3916000      0.1827000    
 C   -3.571500      -1.684700     -0.3725000    
 C   -5.373000     -0.1088000     -0.1619000    
 C    2.977800       1.720800     -2.0000001E-03
 C    1.561400       1.658800     -0.6161000    
 C    3.469300      0.3427000      0.4950000    
 C   -3.104500      0.6709000     -0.2959000    
 C   0.4793000       1.151900      0.3414000    
 C    3.552000     -0.7484000     -0.5894000    
 C   -4.131400      -2.823600      0.4749000    
 C   -2.049200      -1.751200     -0.4430000    
 C   -5.968400      0.8423000      0.8714000    
 C   -5.461900      0.4818000      -1.566200    
 C   -1.830000      0.6586000      0.5109000    
 C    4.112700      -2.059400     -7.2200000E-02
 H   -3.934200      -1.819400      -1.399300    
 H   -5.989500      -1.013100     -0.1313000    
 H    3.681500       2.127100     -0.7384000    
 H    1.573700       1.020600      -1.506400    
 H    2.844600      8.2999999E-03   1.330700    
 H   -2.886700      0.6187000      -1.370400    
 H   -3.513100       1.669000     -9.4400004E-02
 H   0.4128000       1.827000       1.203200    
 H   0.7267000      0.1459000      0.6952000    
 H    2.563700     -0.9674000      -1.005700    
 H   -3.759300      -3.788800      0.1126000    
 H   -5.223200      -2.877800      0.4488000    
 H   -3.823400      -2.727400       1.522500    
 H   -1.552200      -1.739300      0.5303000    
 H   -1.581400      -1.097000      -1.182400    
 H   -1.793800      -2.750000     -0.8304000    
 H   -5.485800       1.824700      0.8770000    
 H   -5.890200      0.4217000       1.880300    
 H   -7.032600       1.005700      0.6669000    
 H   -5.094300       1.510900      -1.640000    
 H   -4.962500     -0.1280000      -2.325600    
 H   -6.517500      0.5269000      -1.863900    
 H    2.666000       3.482200      0.7751000    
 H   0.3014000       2.887700      -1.464800    
 H    5.005600     -0.3019000       1.531600    
 H    5.225700     -3.4000002E-02  -1.293700    
 H    3.722000      -3.437600       1.249400    


%chk=000083181-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083181

0 1
O -0.663765 0.942711 -0.402819
O 3.113927 2.846778 0.187795
O 1.256111 2.378821 -1.692367
O 4.998565 1.139151 1.021530
O 5.045735 -0.697495 -1.079611
O -1.561644 -0.017044 1.523053
O 3.537325 -2.024392 1.992879
O 5.742136 -2.165878 1.246694
N -4.002471 -0.515928 -0.130790
C -3.955128 -1.618675 -1.141240
C -5.343417 -0.072587 0.358438
C 3.099247 1.526367 -0.467614
C 1.661374 1.190345 -0.915439
C 3.719096 0.579399 0.575924
C -3.045552 0.560240 -0.407079
C 0.682577 0.960761 0.241762
C 4.076800 -0.810248 -0.012056
C -4.970134 -2.740665 -0.831892
C -2.532742 -2.228424 -1.198436
C -5.215387 0.747109 1.662421
C -6.186416 0.683956 -0.708549
C -1.729994 0.426644 0.374034
C 4.586346 -1.729582 1.109551
H -4.190019 -1.217151 -2.163258
H -5.883456 -0.997357 0.625822
H 3.741634 1.546687 -1.370683
H 1.669007 0.299365 -1.575556
H 3.036002 0.460178 1.439542
H -2.793260 0.656306 -1.485233
H -3.468355 1.538075 -0.105407
H 0.717225 1.786747 0.973876
H 0.845038 0.000663 0.762699
H 3.180644 -1.277339 -0.454784
H -4.807094 -3.578894 -1.532628
H -6.019076 -2.416200 -0.946474
H -4.825109 -3.118690 0.196755
H -2.260026 -2.639403 -0.209881
H -1.765745 -1.488952 -1.491301
H -2.502732 -3.043124 -1.944799
H -4.827117 1.767890 1.483665
H -4.535012 0.236400 2.364895
H -6.207458 0.858023 2.137015
H -5.698886 1.632949 -1.003694
H -6.324402 0.073090 -1.619832
H -7.187486 0.933539 -0.310266
H 2.608096 3.460450 -0.408968
H 0.278908 2.315856 -1.851008
H 4.863056 2.120228 1.115844
H 5.858000 -0.276987 -0.690043
H 3.869138 -2.598814 2.734511


