%chk=000154260.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154260

0 1
 O   -2.189000      -2.504600      0.6732000    
 O   -4.837100       1.935900       1.451300    
 O   -5.048200      -1.960300      -1.401500    
 O  -0.8412000       3.638100     -0.9662000    
 N   -3.498600     -9.7499996E-02  3.4499999E-02
 N    2.084900     -0.4443000      0.1102000    
 N   0.8072000       2.008200     -0.5406000    
 N    2.844700      0.6163000     -0.1746000    
 N    2.669500      -1.604700      0.4188000    
 N    7.740600      0.4751000     -0.1490000    
 C   -2.089800     -0.1886000      5.4800000E-02
 C   -4.268400     -0.3869000       1.227100    
 C   -4.191100      0.2728000      -1.182700    
 C   -1.460600      -1.392000      0.3740000    
 C   -1.326100      0.9386000     -0.2485000    
 C   0.6959000     -0.3410000      8.6599998E-02
 C   6.6600002E-02  0.8624000     -0.2328000    
 C  -6.7599997E-02  -1.468300      0.3903000    
 C   -4.282100      0.8247000       2.143600    
 C   -4.335400     -0.9388000      -2.087700    
 C    4.085800      0.1193000     -4.5200001E-02
 C    3.974100      -1.296800      0.3336000    
 C    5.330200      0.7536000     -0.2177000    
 C   0.3285000       3.279000     -0.8776000    
 C    5.104500      -2.107500      0.5473000    
 C   -1.461200      -3.689800      0.9873000    
 C    6.442400     -7.9700001E-02  2.4000001E-03
 C    6.334400      -1.448200      0.3682000    
 C   -4.865000       3.097900       2.268700    
 C   -5.203000      -3.119600      -2.208400    
 C    1.455200       4.246800      -1.139300    
 H   -3.890300      -1.251400       1.780100    
 H   -5.302100     -0.6306000      0.9523000    
 H   -3.675100       1.077600      -1.718100    
 H   -5.190400      0.6561000     -0.9418000    
 H   -1.874000       1.842900     -0.4677000    
 H   0.4451000      -2.390500      0.6351000    
 H   -3.265400       1.069100       2.473900    
 H   -4.890800      0.6049000       3.028300    
 H   -3.349800      -1.316700      -2.385200    
 H   -4.885100     -0.6540000      -2.992300    
 H    1.815900       1.926400     -0.5225000    
 H    5.421100       1.796300     -0.4965000    
 H    5.043900      -3.151600      0.8264000    
 H  -0.8685000      -4.039800      0.1351000    
 H  -0.8632000      -3.569700       1.897200    
 H   -2.199100      -4.471200       1.197800    
 H    7.245100      -2.027700      0.5208000    
 H   -5.303100       3.915300       1.689600    
 H   -3.850600       3.383700       2.563000    
 H   -5.482300       2.928500       3.156200    
 H   -5.759300      -3.865900      -1.634900    
 H   -4.226000      -3.537800      -2.469500    
 H   -5.767800      -2.883800      -3.115500    
 H    2.079100       3.877400      -1.958100    
 H    2.063800       4.358300     -0.2374000    
 H    1.048400       5.223100      -1.416400    
 H    7.846200       1.447000     -0.4082000    
 H    8.557100     -0.1015000      3.8999999E-03


%chk=000154260-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154260

0 1
O -1.930944 -1.780844 2.146945
O -5.769514 0.353719 2.090401
O -5.276751 -0.345078 -2.084638
O -0.817030 2.524342 -2.742640
N -3.364605 -0.089465 0.283243
N 2.338922 -0.313846 0.273713
N 0.920432 1.463457 -1.546732
N 3.163858 0.461198 -0.550911
N 2.992827 -1.171641 1.129160
N 8.127854 0.278542 -0.541053
C -1.969546 -0.171956 0.299454
C -4.282347 -1.115190 0.837836
C -4.034811 0.991301 -0.476246
C -1.208501 -1.020016 1.197470
C -1.206326 0.646229 -0.584110
C 0.917853 -0.224340 0.244735
C 0.204510 0.645317 -0.636935
C 0.189728 -1.037581 1.147743
C -4.838437 -0.776831 2.226810
C -4.249177 0.701016 -1.972079
C 4.437443 0.064710 -0.190280
C 4.326716 -0.939832 0.843873
C 5.693679 0.497190 -0.678895
C 0.420004 2.323621 -2.513666
C 5.494586 -1.525593 1.401707
C -1.157213 -2.586200 3.092550
C 6.849467 -0.091249 -0.116887
C 6.733384 -1.097867 0.918811
C -6.306872 0.784978 3.376382
C -5.523162 -0.724688 -3.472870
C 1.496515 3.046985 -3.321547
H -3.764072 -2.082603 0.897098
H -5.120442 -1.216955 0.125952
H -3.460381 1.929314 -0.372327
H -5.018044 1.155199 -0.003724
H -1.698873 1.310045 -1.291863
H 0.772682 -1.667774 1.821148
H -4.011837 -0.519142 2.919843
H -5.382680 -1.662232 2.630467
H -3.312784 0.368585 -2.465616
H -4.596874 1.630244 -2.477266
H 1.956513 1.352505 -1.448273
H 5.766410 1.258674 -1.461525
H 5.421934 -2.286577 2.184039
H -0.558137 -3.357594 2.570912
H -0.487506 -1.952275 3.705825
H -1.906388 -3.070685 3.736845
H 7.653445 -1.531244 1.329774
H -6.984571 1.627681 3.165690
H -5.501481 1.122937 4.063609
H -6.878493 -0.029195 3.873109
H -6.299858 -1.505727 -3.449732
H -4.606800 -1.128590 -3.954121
H -5.886924 0.137899 -4.071832
H 2.522563 2.755441 -3.039732
H 1.380881 4.136132 -3.181707
H 1.342707 2.836653 -4.394196
H 8.254406 0.979948 -1.264401
H 8.954962 -0.146552 -0.133641


