%chk=000176513.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176513

0 1
 P   3.0200001E-02  0.6118000     -1.7600000E-02
 O   0.3127000       1.441300       1.360600    
 O  -0.1060000       1.559700      -1.187900    
 N    1.270200     -0.5044000     -0.1481000    
 N   -1.368100     -0.2648000      0.2966000    
 C    1.568700      -1.364900      0.9974000    
 C    2.515600     -8.9299999E-02 -0.7914000    
 C   -1.773000      -1.254200     -0.7072000    
 C   -2.549800      0.4953000      0.7140000    
 C    2.326000      -2.609500      0.5666000    
 C    2.243400      0.8072000      -1.987400    
 C   -2.805400      -2.216300     -0.1445000    
 C   -3.182200       1.217300     -0.4637000    
 C    1.517700       2.170700       1.512600    
 H    2.127600     -0.8286000       1.771600    
 H   0.6305000      -1.692800       1.458500    
 H    3.181100      0.4320000     -9.5100001E-02
 H    3.057500     -0.9548000      -1.185400    
 H   -2.098900     -0.8105000      -1.653200    
 H  -0.8953000      -1.859200     -0.9640000    
 H   -3.285900     -0.1253000       1.235000    
 H   -2.247300       1.240200       1.459400    
 H    1.860600      -3.088200     -0.3019000    
 H    3.377100      -2.404700      0.3419000    
 H    2.319400      -3.340600       1.382900    
 H    1.453800      0.4199000      -2.639400    
 H    2.069100       1.848200      -1.704500    
 H    3.149200      0.8372000      -2.607100    
 H   -2.512100      -2.595700      0.8405000    
 H   -3.802500      -1.772000     -7.1800001E-02
 H   -2.897400      -3.082100     -0.8101000    
 H   -2.485000       1.853600      -1.010700    
 H   -3.674900      0.5418000      -1.168600    
 H   -3.968800       1.881200     -8.5100003E-02
 H    1.357800       2.945500       2.267000    
 H    1.801400       2.653600      0.5748000    
 H    2.316300       1.511900       1.858200    


%chk=000176513-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176513

0 1
P 0.166647 0.896121 0.104161
O 0.128543 1.450380 1.776004
O 0.366281 2.114805 -0.920464
N 1.426201 -0.285875 -0.078917
N -1.302537 -0.041289 0.165889
C 1.584515 -1.358628 0.932558
C 2.580345 0.046818 -0.955947
C -1.557252 -1.018964 -0.926435
C -2.499878 0.572293 0.806742
C 1.829048 -2.751299 0.317165
C 2.442058 -0.509929 -2.388297
C -2.102576 -2.360366 -0.396080
C -3.231479 1.616307 -0.070217
C 0.878784 2.686153 2.074769
H 2.424738 -1.106851 1.616285
H 0.664501 -1.377483 1.544044
H 2.682890 1.146479 -1.012655
H 3.493845 -0.350048 -0.470219
H -2.264473 -0.594635 -1.669988
H -0.602307 -1.194363 -1.453662
H -3.186734 -0.252806 1.072287
H -2.168350 1.034375 1.750524
H 0.995982 -3.041623 -0.346748
H 2.763982 -2.777375 -0.270614
H 1.916473 -3.506288 1.120912
H 2.311422 -1.606251 -2.384651
H 1.569598 -0.051965 -2.886977
H 3.342550 -0.267504 -2.984439
H -1.395429 -2.811447 0.321640
H -3.074619 -2.236213 0.113602
H -2.253550 -3.065614 -1.234850
H -2.553413 2.448631 -0.330245
H -3.604586 1.174906 -1.012193
H -4.100012 2.029208 0.476142
H 0.459640 3.064591 3.020455
H 0.747072 3.429856 1.267901
H 1.955381 2.466390 2.205417


