%chk=000174618.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174618

0 1
 P    2.920400     -0.9026000       1.148100    
 P    3.532800       1.444400     -0.5174000    
 O   -1.234200      -2.028300      0.8893000    
 O   -1.747400      -4.627500     -0.6956000    
 O    1.536100      -1.738600       1.193200    
 O    2.586200      0.2993000      0.1202000    
 O    3.917100      -1.846500      0.2924000    
 O    3.455400     -0.4567000       2.477600    
 O    2.586100       2.205000      -1.587000    
 O    4.572500      0.6019000      -1.426600    
 O    4.182300       2.340900      0.4965000    
 N   -2.814700     -0.4666000      5.8300000E-02
 N   -4.199600       1.284200      1.1000000E-02
 N  -0.6986000      0.6899000      0.3555000    
 N   -1.013500       3.107600      0.4640000    
 N   -3.169900       4.131200      0.2929000    
 C  -0.9906000      -3.458300      -1.001500    
 C  -0.3111000      -2.944300      0.2632000    
 C   -2.370600      -1.855200      2.5000000E-02
 C   -1.951500      -2.345700      -1.353400    
 C   0.9779000      -2.188600     -2.8800000E-02
 C   -2.031300      0.6448000      0.2086000    
 C   -4.109500     -2.7600000E-02 -5.6899998E-02
 C   -2.908100       1.717400      0.1771000    
 C   -2.354400       2.986600      0.3121000    
 C  -0.2798000       1.968600      0.4761000    
 C    1.918000       1.464900      -2.594000    
 H  -0.3011000      -3.706200      -1.813600    
 H  -0.1188000      -3.743700      0.9876000    
 H   -3.185000      -2.466200      0.4332000    
 H   -1.426500      -1.557400      -1.905800    
 H   -2.812800      -2.670400      -1.945300    
 H    1.691700      -2.850000     -0.5303000    
 H   0.7873000      -1.325900     -0.6729000    
 H   -1.117800      -5.318000     -0.4261000    
 H   -4.939300     -0.7084000     -0.1892000    
 H   0.7840000       2.110100      0.6197000    
 H   -4.170700       4.043600      0.1793000    
 H   -2.743900       5.042500      0.3925000    
 H    4.330100      -2.620700      0.7308000    
 H    5.344200       1.065000      -1.817000    
 H    2.646600      0.9885000      -3.254700    
 H    1.302600       2.151100      -3.181000    
 H    1.271800      0.7075000      -2.144400    


%chk=000174618-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000174618

0 1
P 3.031861 -1.047812 1.398822
P 3.641742 1.611859 -0.255590
O -1.451169 -2.255874 0.926140
O -1.738836 -4.578763 -1.026301
O 1.533938 -1.841709 1.308680
O 2.650097 0.472679 0.536351
O 3.961235 -1.838883 0.193540
O 3.622738 -0.880678 2.845583
O 2.853332 1.842838 -1.753409
O 4.967658 0.487538 -0.606145
O 4.094624 2.949401 0.435839
N -2.928554 -0.509358 0.145005
N -4.216695 1.213614 0.962537
N -1.036882 0.849556 -0.803308
N -1.391558 3.262514 -0.463540
N -3.295378 4.135868 0.628323
C -0.950937 -3.346285 -1.160139
C -0.335471 -2.900470 0.196780
C -2.519701 -1.901473 -0.043889
C -1.965855 -2.231233 -1.450418
C 0.836309 -1.937967 -0.007649
C -2.237020 0.676231 -0.164941
C -4.095148 -0.114270 0.830941
C -3.057655 1.720180 0.344974
C -2.592184 3.056101 0.174897
C -0.695857 2.175094 -0.902297
C 2.289157 0.687289 -2.506183
H -0.184692 -3.458012 -1.953330
H -0.005081 -3.756664 0.813371
H -3.399079 -2.524348 0.198986
H -1.466744 -1.348823 -1.882718
H -2.755404 -2.584109 -2.130363
H 1.551146 -2.339545 -0.753094
H 0.475095 -0.933460 -0.293871
H -1.166375 -5.311818 -0.685803
H -4.806754 -0.847895 1.205169
H 0.259891 2.397666 -1.385964
H -4.176378 3.997297 1.119364
H -2.905441 5.067780 0.501316
H 4.636969 -1.202402 -0.212180
H 5.846662 0.916312 -0.755745
H 3.016517 -0.142256 -2.560288
H 2.101496 1.093961 -3.510578
H 1.346783 0.361931 -2.036170


