%chk=000015456.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015456

0 1
 P  -0.5295000      0.2005000     -3.7099998E-02
 O  -0.7497000      8.5000005E-03  -1.518600    
 O    3.282700      0.9561000      0.2596000    
 O    2.254900     -0.8116000     -0.7910000    
 N   -1.576600       1.274000      0.6758000    
 N  -0.6428000      -1.188300      0.8661000    
 N    1.039200      0.8363000      0.2857000    
 C   -2.809600       1.621500     -1.6000001E-02
 C  -0.8336000      -2.459800      0.1832000    
 C   -1.668700       2.592900      6.6299997E-02
 C   -1.957000      -1.810700      0.9374000    
 C   -3.998900       1.868900      0.8424000    
 C   -3.111700       1.006400      -1.336600    
 C  -0.8705000      -2.411200      -1.302900    
 C  -0.2329000      -3.698000      0.7483000    
 C    2.200100      0.2287000     -0.1437000    
 C    4.560500      0.4335000     -0.1205000    
 C    5.644300       1.352400      0.4016000    
 H   -1.061500       2.780000     -0.8097000    
 H   -1.733900       3.421800      0.7592000    
 H   -2.777400      -1.375800      0.3886000    
 H   -2.229100      -2.202000       1.909700    
 H   -4.554000      0.9391000       1.008700    
 H   -4.675400       2.587700      0.3674000    
 H   -3.730900       2.271900       1.826100    
 H   -3.167300     -8.2900003E-02  -1.305500    
 H   -2.457100       1.352100      -2.142900    
 H   -4.110300       1.329900      -1.660800    
 H  -0.9792000      -3.441400      -1.673600    
 H   -1.755800      -1.923400      -1.721100    
 H   7.2600000E-02  -2.078500      -1.747000    
 H   0.7776000      -3.851400      0.3541000    
 H  -0.1567000      -3.658900       1.841000    
 H  -0.8367000      -4.574700      0.4906000    
 H    1.126300       1.697500      0.8174000    
 H    4.686700     -0.5678000      0.3063000    
 H    4.620000      0.3739000      -1.212900    
 H    6.636300      0.9820000      0.1284000    
 H    5.520400       2.362700     -2.2000000E-03
 H    5.586100       1.436500       1.491800    


%chk=000015456-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015456

0 1
P -0.624126 0.255540 -0.598188
O -0.813115 0.237336 -2.192747
O 3.226709 0.845960 0.265808
O 2.389937 -0.828169 -1.162426
N -1.413805 1.590047 0.300802
N -1.089360 -1.183774 0.337279
N 0.983703 0.672581 0.001350
C -2.909006 1.896478 0.192395
C -0.780753 -2.631522 -0.097814
C -1.899050 2.782107 -0.517681
C -2.196257 -2.088173 -0.182275
C -3.506430 2.354642 1.516087
C -3.815099 1.015616 -0.665278
C -0.042544 -2.920309 -1.401681
C -0.390333 -3.506333 1.086623
C 2.200998 0.134709 -0.381419
C 4.609990 0.372685 -0.034464
C 5.558335 1.284089 0.737822
H -1.830619 2.693238 -1.610519
H -1.623520 3.755378 -0.097859
H -2.586003 -1.888449 -1.189271
H -2.943415 -2.354648 0.574327
H -3.778763 1.483586 2.139103
H -4.418630 2.954711 1.339115
H -2.783971 2.965892 2.082087
H -4.125043 0.111482 -0.110056
H -3.314906 0.706628 -1.600626
H -4.729852 1.576623 -0.931867
H -0.243460 -3.966292 -1.701204
H -0.364793 -2.246938 -2.214468
H 1.045510 -2.787668 -1.279853
H 0.691918 -3.416937 1.289747
H -0.938550 -3.208533 1.996087
H -0.612233 -4.567287 0.865363
H 0.993867 1.406493 0.716231
H 4.694059 -0.684772 0.275895
H 4.767612 0.425068 -1.126730
H 6.604070 0.978351 0.551697
H 5.441287 2.333999 0.419315
H 5.366539 1.224965 1.822896


