%chk=000075099.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075099

0 1
 O    3.449000     -0.9938000      -1.652500    
 O   -2.790200      -2.487300      -1.565600    
 N    2.532200     -0.4113000      0.4363000    
 N   -2.181800      -1.539600      0.5019000    
 C   0.1748000     -0.9736000      0.4689000    
 C   -1.485500      0.7548000      0.1633000    
 C   0.8641000       1.317100      0.1307000    
 C   0.5221000      -2.411300      0.6990000    
 C   -2.908800       1.197300      6.1999999E-02
 C    1.929800       2.355500     -4.6999999E-03
 C    1.187700     -2.2600001E-02  0.3452000    
 C   -1.161900     -0.5850000      0.3779000    
 C  -0.4725000       1.705700      3.9900001E-02
 C    1.271800      -2.625300       2.025200    
 C    1.329400      -3.010200     -0.4655000    
 C   -3.238000       1.802400      -1.314900    
 C   -3.295900       2.186800       1.175900    
 C    1.855600       3.419700       1.105100    
 C    1.913600       3.035600      -1.385700    
 C    2.989400     -0.7024000     -0.6092000    
 C   -2.485000      -2.012700     -0.5331000    
 H  -0.3810000      -3.023700      0.7858000    
 H   -3.594300      0.3525000      0.1854000    
 H    2.926400       1.913200      9.5700003E-02
 H  -0.7246000       2.749400     -0.1272000    
 H    2.286100      -2.219500       2.037400    
 H    1.361000      -3.698400       2.231300    
 H   0.7212000      -2.175400       2.859200    
 H    1.108900      -2.537300      -1.428200    
 H    1.039500      -4.064100     -0.5760000    
 H    2.405100      -3.051900     -0.2786000    
 H   -2.686700       2.730500      -1.499700    
 H   -4.306700       2.032200      -1.387400    
 H   -2.990900       1.099100      -2.117900    
 H   -3.089200       1.760500       2.163900    
 H   -4.365300       2.419800       1.128100    
 H   -2.747700       3.131700       1.096600    
 H    1.889800       2.952000       2.095400    
 H    2.702100       4.111300       1.031300    
 H   0.9372000       4.013500       1.045900    
 H   0.9972000       3.612400      -1.550400    
 H    2.760100       3.723900      -1.484400    
 H    1.991000       2.291800      -2.186500    


%chk=000075099-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000075099

0 1
O 4.938234 -0.173780 0.287019
O -3.997184 -3.185555 0.207774
N 2.516558 -0.411854 0.240456
N -2.209004 -1.539999 0.221687
C 0.168897 -1.018547 0.235516
C -1.551857 0.794316 0.149088
C 0.858278 1.386747 0.163989
C 0.502211 -2.513605 0.298027
C -3.009117 1.261092 0.114299
C 1.963992 2.443958 0.098466
C 1.175400 -0.009721 0.212236
C -1.195354 -0.587103 0.200061
C -0.505103 1.740984 0.135623
C 1.231552 -2.909773 1.611421
C 1.265440 -3.011025 -0.960496
C -3.321697 2.050988 -1.185593
C -3.364279 2.101260 1.371224
C 1.544819 3.825149 0.653269
C 2.485334 2.588702 -1.362519
C 3.717745 -0.227197 0.267783
C -3.096788 -2.356966 0.210124
H -0.462711 -3.051592 0.306865
H -3.659892 0.367629 0.120901
H 2.811807 2.094520 0.722285
H -0.768898 2.802694 0.105009
H 2.236685 -2.460968 1.674498
H 1.346494 -4.008584 1.655657
H 0.654506 -2.591123 2.498433
H 0.713220 -2.762423 -1.884956
H 1.378705 -4.110012 -0.915870
H 2.273104 -2.568921 -1.031251
H -2.722566 2.978322 -1.245597
H -4.389204 2.337202 -1.212053
H -3.103482 1.447058 -2.084581
H -3.177381 1.532837 2.299904
H -4.431576 2.388812 1.350745
H -2.765230 3.029604 1.415141
H 1.125385 3.746213 1.672409
H 2.424914 4.491911 0.694940
H 0.794649 4.316752 0.006153
H 1.681259 2.970840 -2.018208
H 3.331020 3.299251 -1.402057
H 2.830217 1.625207 -1.778019


