%chk=000120937.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120937

0 1
 O   0.8613000      0.3570000     -0.8943000    
 O  -9.7900003E-02  0.4735000       1.233100    
 N   -2.553000      0.8286000     -4.5400001E-02
 N   -5.134000     -0.4677000      8.3600000E-02
 C   -2.669800     -0.6338000      6.0000001E-03
 C   -3.733100       1.414100     -0.6935000    
 C   -3.953400      -1.053000      0.7308000    
 C   -5.017400      0.9947000      3.0099999E-02
 C   -1.329200       1.227800     -0.7376000    
 C   -1.240800       2.746600     -0.7942000    
 C  -0.1482000      0.6514000      2.2600001E-02
 C   -6.357200     -0.8658000      0.7774000    
 C    2.002600     -0.1828000     -0.2967000    
 C    2.092600      -1.551100     -0.1536000    
 C    2.998200      0.6708000      0.1283000    
 C    1.008500      -2.468000     -0.6164000    
 C    2.892700       2.151900     -3.1599998E-02
 C    3.232100      -2.091300      0.4429000    
 C    4.137700      0.1308000      0.7247000    
 C    1.485100      -3.431200      -1.719000    
 C   0.3808000      -3.265900      0.5412000    
 C    3.996300       2.724200     -0.9400000    
 C    2.891600       2.889500       1.319900    
 C    4.254600      -1.250300      0.8819000    
 H   -1.843800      -1.098800      0.5509000    
 H   -2.666600      -1.060700      -1.006600    
 H   -3.790000       1.121300      -1.750700    
 H   -3.717800       2.507800     -0.6506000    
 H   -4.022600      -2.147300      0.7044000    
 H   -3.895900     -0.7542000       1.786400    
 H   -5.029600       1.425300       1.040800    
 H   -5.872800       1.414100     -0.5135000    
 H   -1.318900      0.8219000      -1.758200    
 H  -0.2317000       3.059400      -1.084900    
 H   -1.918200       3.179200      -1.537200    
 H   -1.439500       3.206300      0.1812000    
 H   -7.238100     -0.4640000      0.2645000    
 H   -6.376000     -0.5199000       1.817200    
 H   -6.462700      -1.956400      0.7751000    
 H   0.1903000      -1.893900      -1.065500    
 H    1.950000       2.415200     -0.5206000    
 H    3.346000      -3.163400      0.5769000    
 H    4.947600      0.7648000       1.074700    
 H   0.6463000      -4.024500      -2.099000    
 H    2.246800      -4.128800      -1.354600    
 H    1.913000      -2.876600      -2.561500    
 H   3.3799998E-02  -2.596200       1.335600    
 H  -0.4810000      -3.841900      0.1865000    
 H    1.091300      -3.971200      0.9854000    
 H    3.995400       2.224400      -1.915200    
 H    3.836000       3.794300      -1.111200    
 H    4.992900       2.604000     -0.5020000    
 H    2.720600       3.961400       1.171500    
 H    3.842300       2.775600       1.851500    
 H    2.095400       2.510000       1.969800    
 H    5.141800      -1.670800       1.346400    


%chk=000120937-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120937

0 1
O 0.819591 0.341414 -0.777821
O -0.050742 0.548886 1.390669
N -2.646668 0.839670 -0.031875
N -5.244302 -0.469404 -0.082617
C -2.773688 -0.637825 -0.158646
C -3.838365 1.505289 -0.620666
C -4.061755 -1.131207 0.516353
C -5.123527 0.999815 0.055235
C -1.362127 1.333122 -0.589564
C -1.206178 2.870697 -0.456627
C -0.180950 0.697911 0.163636
C -6.515542 -0.984507 0.460038
C 2.070353 -0.207970 -0.299069
C 2.176060 -1.617058 -0.182758
C 3.141702 0.684894 -0.043054
C 0.985915 -2.545282 -0.441667
C 2.974371 2.203479 -0.150625
C 3.430851 -2.137625 0.220921
C 4.374264 0.113040 0.359095
C 1.337016 -3.688953 -1.427326
C 0.442193 -3.112583 0.899591
C 4.113063 2.868081 -0.965116
C 2.859175 2.835272 1.265522
C 4.520129 -1.283658 0.490895
H -1.910260 -1.114698 0.338618
H -2.783726 -0.954045 -1.232530
H -3.912572 1.314890 -1.721843
H -3.767642 2.594297 -0.460625
H -4.154208 -2.224205 0.372407
H -3.989376 -0.930204 1.615478
H -5.107617 1.311635 1.131303
H -5.998081 1.476177 -0.426884
H -1.241175 1.054676 -1.665997
H -0.179233 3.174454 -0.725199
H -1.893493 3.402896 -1.134855
H -1.408260 3.179042 0.583513
H -7.363944 -0.502002 -0.058115
H -6.634079 -0.805818 1.559272
H -6.581415 -2.073083 0.282236
H 0.183046 -1.944722 -0.908230
H 2.027845 2.400615 -0.687789
H 3.552532 -3.221690 0.324832
H 5.225666 0.769489 0.570053
H 0.439370 -4.299885 -1.636668
H 2.107736 -4.363920 -1.010834
H 1.715751 -3.290532 -2.385689
H 0.176938 -2.298370 1.597264
H -0.456078 -3.733916 0.722471
H 1.202451 -3.746615 1.392884
H 4.199106 2.423511 -1.972885
H 3.916949 3.950431 -1.078880
H 5.091370 2.761709 -0.460919
H 2.681879 3.924696 1.190747
H 3.792347 2.680096 1.838670
H 2.030353 2.381743 1.837118
H 5.481380 -1.705747 0.804251


