%chk=000103519.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103519

0 1
 P   0.4749000       1.211900     -0.7498000    
 O    1.921800       1.860100     -0.4843000    
 O  -0.5593000       2.201800     -1.8800000E-02
 O   0.1510000      0.8932000      -2.162800    
 N   -3.157600      -1.477100      0.3489000    
 C   0.4744000     -0.2768000      0.3108000    
 C  -0.7453000      -1.171900      3.3799998E-02
 C   -2.028700     -0.5987000      0.6368000    
 C    1.759300      -1.070800      0.1861000    
 C   -4.235500      -1.263400       1.315600    
 C   -3.645700      -1.257800      -1.013500    
 C    2.290400      -1.717900       1.302000    
 C    2.410800      -1.155000      -1.044500    
 C   -4.777800      0.1532000       1.229000    
 C   -4.779700      -2.211000      -1.350400    
 C    2.279500       2.258500      0.8273000    
 C  -0.8500000       3.489600     -0.5320000    
 C    3.472800      -2.448900       1.187300    
 C    3.593100      -1.886200      -1.159100    
 C    4.124100      -2.533000     -4.3099999E-02
 C    3.680200       2.832300      0.8037000    
 C   -1.852700       4.167800      0.3771000    
 H   0.4150000      9.1499999E-02   1.343200    
 H  -0.8366000      -1.319500      -1.047300    
 H  -0.5818000      -2.167800      0.4685000    
 H   -1.869100     -0.5196000       1.720300    
 H   -2.204900      0.4136000      0.2616000    
 H   -5.042700      -1.994600       1.201000    
 H   -3.853100      -1.439900       2.329500    
 H   -2.844100      -1.484500      -1.725600    
 H   -3.938200     -0.2228000      -1.223600    
 H    1.791600      -1.661500       2.265900    
 H    2.020000     -0.6889000      -1.940700    
 H   -4.019200      0.9246000       1.388600    
 H   -5.305300      0.3594000      0.2937000    
 H   -5.518800      0.2904000       2.026100    
 H   -4.965300      -2.192100      -2.430300    
 H   -5.720900      -1.933600     -0.8664000    
 H   -4.533900      -3.244300      -1.081800    
 H    1.579500       3.018000       1.187400    
 H    2.252800       1.408500       1.511900    
 H   7.2600000E-02   4.074900     -0.5878000    
 H   -1.261600       3.386500      -1.540700    
 H    3.885900      -2.953200       2.056000    
 H    4.097700      -1.956800      -2.118200    
 H    5.043900      -3.103500     -0.1328000    
 H    4.395000       2.087300      0.4386000    
 H    3.735100       3.687600      0.1220000    
 H    3.987200       3.156300       1.802000    
 H   -2.770600       3.574800      0.4486000    
 H   -1.452400       4.257600       1.392500    
 H   -2.104000       5.165500      6.8000001E-03


%chk=000103519-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103519

0 1
P 0.342961 1.181687 -0.528045
O 1.949977 1.798083 -0.807440
O -0.393495 2.378036 0.517323
O -0.390307 0.951081 -1.923750
N -3.310981 -1.340354 0.153708
C 0.406376 -0.312481 0.658278
C -0.827556 -1.213851 0.361862
C -2.186499 -0.581129 0.748993
C 1.715514 -1.076802 0.531618
C -4.512170 -1.432595 1.019098
C -3.575403 -0.956630 -1.259404
C 2.457946 -1.405326 1.694154
C 2.180573 -1.529971 -0.730706
C -5.274083 -0.104619 1.293442
C -4.334827 -2.040144 -2.047174
C 2.784700 2.245352 0.343803
C -1.024814 3.566486 -0.127760
C 3.639777 -2.175546 1.601589
C 3.363793 -2.292879 -0.824771
C 4.096626 -2.621307 0.340392
C 4.051067 2.845851 -0.261395
C -1.844453 4.266100 0.953043
H 0.316197 0.131565 1.667324
H -0.834346 -1.474431 -0.712003
H -0.698704 -2.161138 0.917409
H -2.289774 -0.597570 1.851765
H -2.202051 0.494212 0.450402
H -5.208150 -2.162234 0.564754
H -4.192786 -1.871336 1.984528
H -2.599471 -0.773426 -1.744469
H -4.129325 0.012927 -1.327858
H 2.104698 -1.065138 2.675910
H 1.623822 -1.271411 -1.640275
H -4.617995 0.641804 1.778863
H -5.667468 0.340209 0.361557
H -6.132326 -0.289911 1.966397
H -4.427437 -1.743806 -3.108451
H -5.356280 -2.203326 -1.656979
H -3.790424 -2.999651 -1.995600
H 2.217856 2.987264 0.939223
H 3.022336 1.372640 0.983233
H -0.227016 4.222572 -0.526475
H -1.654325 3.223278 -0.970634
H 4.200402 -2.425722 2.509352
H 3.716025 -2.630202 -1.805896
H 5.013396 -3.216607 0.265257
H 4.581735 2.091331 -0.866049
H 3.803444 3.702062 -0.911556
H 4.727628 3.194164 0.541383
H -2.630737 3.595041 1.339604
H -1.201988 4.572853 1.796332
H -2.327859 5.168744 0.535196


