%chk=000196732.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196732

0 1
P -3.332337 1.581760 -0.219898
O -0.988417 -0.758911 -0.179769
O -3.982573 0.256852 0.578293
O -2.494205 -3.667197 -1.160997
O -2.012119 1.961818 0.692722
O -3.053533 1.308111 -1.646091
N 1.275329 -1.248540 0.109587
N 3.579492 -1.303925 0.081553
N 0.989994 1.241571 0.422675
N 3.127478 2.425768 0.549204
N 5.216527 1.328499 0.390711
C -2.324204 -1.424039 -0.188705
C -2.029197 -2.954991 -0.025836
C -0.041860 -1.743729 0.039335
C -3.100789 -0.799068 0.970845
C -0.533375 -2.997640 0.139511
C 1.705325 0.089414 0.263362
C 2.486323 -2.048543 0.000842
C 3.142939 0.026076 0.245895
C 3.852964 1.254622 0.392406
C -4.555231 2.873692 0.259115
C 1.766431 2.360523 0.557083
H -2.744416 -1.175779 -1.193051
H -2.590609 -3.433452 0.806191
H -2.411679 -0.432411 1.762717
H -3.818494 -1.523696 1.416327
H -0.019961 -3.921299 0.312470
H -1.943965 -3.482248 -1.954679
H 2.427188 -3.121995 -0.130700
H -4.152631 3.525494 1.049008
H -4.826740 3.504446 -0.598904
H -5.478872 2.417268 0.647257
H 1.229497 3.319043 0.686757
H -1.127953 1.530485 0.412129
H 5.686206 2.216517 0.488954
H 5.773866 0.495802 0.268380


%chk=000196732-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196732

0 1
P -2.870036 1.770268 -0.202092
O -1.133882 -0.967323 -0.575128
O -3.860867 0.313707 0.062953
O -2.298714 -4.200574 -0.819402
O -1.704870 1.708666 1.025693
O -2.357334 1.943196 -1.701600
N 1.136985 -1.198041 0.036172
N 3.422944 -1.148066 -0.199588
N 0.780895 1.229864 0.578190
N 2.871487 2.499510 0.603801
N 4.962994 1.501004 0.162027
C -2.445109 -1.702737 -0.355426
C -2.047030 -3.126161 0.163154
C -0.162769 -1.750498 0.050111
C -3.283532 -0.893636 0.641026
C -0.585641 -2.957198 0.522993
C 1.524464 0.135750 0.254474
C 2.330531 -1.916847 -0.233891
C 2.936454 0.137521 0.106148
C 3.611373 1.380470 0.287527
C -4.085883 3.030133 0.396984
C 1.526650 2.370087 0.733231
H -2.938270 -1.741361 -1.339982
H -2.678019 -3.431155 1.014451
H -2.674750 -0.649625 1.535643
H -4.155679 -1.503288 0.941284
H 0.003508 -3.691532 1.068732
H -1.654660 -4.102768 -1.568349
H 2.305613 -2.979509 -0.463129
H -4.289442 2.854566 1.463033
H -3.660909 4.035034 0.252049
H -5.014728 2.931237 -0.184847
H 0.966955 3.273715 0.987714
H -0.702528 1.423042 0.779354
H 5.392129 2.414636 0.298485
H 5.528068 0.688211 -0.077097


