%chk=000078591.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078591

0 1
 P  -0.5426000      0.3010000      0.6253000    
 O   0.4105000       1.111600     -0.4118000    
 O   -4.836100       1.204700     -0.2685000    
 O    1.029500      -3.768400     -0.3830000    
 O  -0.3677000      0.8031000       2.039200    
 N   -2.072900      0.5162000      1.8400000E-02
 N  -0.2117000      -1.309400      0.3940000    
 C   -3.144300     -0.2725000      0.6414000    
 C   -2.518800       1.903900     -0.1647000    
 C  -0.2335000      -1.792400     -0.9934000    
 C   0.9665000      -1.845100       1.088900    
 C   -4.440600     -0.1612000     -0.1516000    
 C   -3.829700       1.961200     -0.9396000    
 C  -0.1483000      -3.312700      -1.046900    
 C    1.020600      -3.364600      0.9853000    
 C    1.772500       1.223300     -0.3257000    
 C    2.346500       1.809400      0.7975000    
 C    2.569700      0.7506000      -1.362600    
 C    3.734000       1.924100      0.8847000    
 C    3.957200      0.8652000      -1.275300    
 C    4.539200       1.452000     -0.1516000    
 H   -3.302600      8.2999997E-02   1.667100    
 H   -2.865500      -1.329400      0.6995000    
 H   -1.764100       2.476400     -0.7138000    
 H   -2.643200       2.376000      0.8176000    
 H   0.6070000      -1.368700      -1.550300    
 H   -1.153100      -1.481000      -1.498700    
 H   0.9360000      -1.566400       2.147500    
 H    1.880100      -1.422000      0.6593000    
 H   -4.341000     -0.6015000      -1.151300    
 H   -5.242300     -0.6965000      0.3672000    
 H   -4.179300       2.996500      -1.004900    
 H   -3.710200       1.586500      -1.963500    
 H   -1.030000      -3.782200     -0.5938000    
 H  -9.4300002E-02  -3.647200      -2.087900    
 H    1.939300      -3.737700       1.449000    
 H   0.1746000      -3.834700       1.501300    
 H    1.734300       2.200400       1.603500    
 H    2.123800      0.3021000      -2.245200    
 H    4.187000       2.385200       1.757500    
 H    4.584100      0.4999000      -2.083300    
 H    5.619400       1.542600     -8.4500000E-02


%chk=000078591-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078591

0 1
P -0.319330 0.225014 0.847130
O 0.482585 1.287149 -0.327359
O -4.598323 0.890324 -0.721492
O 0.148913 -4.229947 -0.101284
O 0.074518 0.494613 2.373731
N -1.923513 0.515968 0.246540
N -0.020847 -1.422845 0.414491
C -3.039512 -0.287207 0.814008
C -2.364005 1.861281 -0.208954
C -0.208341 -1.925013 -0.966326
C 0.860535 -2.271183 1.253637
C -4.132584 -0.426404 -0.261281
C -3.470162 1.671270 -1.261102
C -0.740978 -3.369452 -0.896592
C 0.290229 -3.700136 1.268252
C 1.882388 1.532044 -0.304748
C 2.626457 1.644390 0.894415
C 2.492785 1.715440 -1.566448
C 4.007134 1.935946 0.809760
C 3.870595 2.017901 -1.629764
C 4.634485 2.125342 -0.443318
H -3.462267 0.210854 1.712158
H -2.664226 -1.284004 1.108894
H -1.506735 2.396451 -0.646602
H -2.761395 2.450667 0.644639
H 0.757719 -1.910276 -1.513190
H -0.925979 -1.273325 -1.495967
H 0.899002 -1.848666 2.273160
H 1.888698 -2.288033 0.835409
H -3.734575 -1.008457 -1.121898
H -5.025908 -0.928676 0.145871
H -3.902762 2.640474 -1.559393
H -3.049401 1.156475 -2.151805
H -1.760743 -3.368968 -0.451458
H -0.774430 -3.828674 -1.898551
H 0.975418 -4.395537 1.780200
H -0.698483 -3.705232 1.776611
H 2.129750 1.509926 1.860721
H 1.884119 1.624256 -2.471492
H 4.590011 2.024446 1.733449
H 4.345660 2.165598 -2.606057
H 5.703498 2.357506 -0.495697


