%chk=000019708.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019708

0 1
 P    0.000000      -1.237700      0.1892000    
 O   -1.240900      -1.143500     -0.8590000    
 O    1.240700      -1.143900     -0.8592000    
 O  -1.9999999E-04  -2.587600      0.8695000    
 N   3.0000001E-04  0.1434000       1.100700    
 C   5.0000002E-04   1.481000      0.6532000    
 C   -2.557600      -1.024600     -0.5028000    
 C    2.557500      -1.025400     -0.5031000    
 C   9.9999997E-05   2.525900       1.577400    
 C   6.9999998E-04   1.758900     -0.7137000    
 C   -3.000400      -1.576700      0.6944000    
 C    3.000400      -1.577700      0.6939000    
 C   -3.440400     -0.3528000      -1.341700    
 C    3.440200     -0.3531000      -1.341800    
 C  -3.9999999E-04   3.848700       1.134700    
 C   3.9999999E-04   3.081700      -1.156400    
 C  -1.9999999E-04   4.126600     -0.2321000    
 C   -4.341900      -1.456100       1.056900    
 C    4.341600      -1.456200       1.056900    
 C   -4.781800     -0.2321000     -0.9791000    
 C    4.781500     -0.2317000     -0.9788000    
 C   -5.232600     -0.7838000      0.2202000    
 C    5.232200     -0.7833000      0.2206000    
 H   8.9999998E-04  8.2199998E-02   2.116700    
 H  -9.9999997E-05   2.324400       2.645600    
 H   1.0000000E-03  0.9817000      -1.468900    
 H   -2.341200      -2.110000       1.368400    
 H    2.341300      -2.111400       1.367700    
 H   -3.092900      7.9099998E-02  -2.275900    
 H    3.092700      7.9000004E-02  -2.276000    
 H  -7.9999998E-04   4.662200       1.854200    
 H   5.0000002E-04   3.298800      -2.220600    
 H  -6.0000003E-04   5.156400     -0.5768000    
 H   -4.693600      -1.886400       1.990100    
 H    4.693300      -1.886400       1.990100    
 H   -5.475300      0.2918000      -1.630300    
 H    5.474900      0.2926000      -1.629700    
 H   -6.277200     -0.6898000      0.5024000    
 H    6.276600     -0.6888000      0.5030000    


%chk=000019708-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019708

0 1
P -0.000055 -1.003518 0.443804
O -1.248691 -0.997603 -0.762298
O 1.248679 -0.997501 -0.762192
O -0.000066 -2.158259 1.535918
N -0.000169 0.550307 1.207909
C -0.000074 1.845645 0.615001
C -2.627423 -1.066977 -0.382041
C 2.627391 -1.066827 -0.381855
C 0.000055 2.975939 1.474248
C -0.000125 2.033033 -0.792600
C -3.106341 -2.064652 0.496064
C 3.106283 -2.064357 0.496429
C -3.490345 -0.131937 -0.989896
C 3.490328 -0.131867 -0.989814
C 0.000123 4.277475 0.930785
C -0.000039 3.341675 -1.320307
C 0.000083 4.471136 -0.469726
C -4.492741 -2.113997 0.766468
C 4.492670 -2.113630 0.766914
C -4.874429 -0.205099 -0.717524
C 4.874399 -0.204960 -0.717358
C -5.378700 -1.192300 0.161719
C 5.378645 -1.192017 0.162062
H -0.000176 0.502204 2.230302
H 0.000098 2.836614 2.562451
H -0.000225 1.170483 -1.465691
H -2.412830 -2.777576 0.952972
H 2.412766 -2.777228 0.953412
H -3.074089 0.627832 -1.658018
H 3.074089 0.627789 -1.658075
H 0.000218 5.140266 1.606166
H -0.000074 3.476018 -2.407936
H 0.000144 5.482267 -0.889346
H -4.878305 -2.881611 1.446237
H 4.878213 -2.881133 1.446821
H -5.554864 0.512646 -1.188363
H 5.554844 0.512724 -1.188275
H -6.452178 -1.242969 0.372564
H 6.452112 -1.242634 0.372968


