%chk=000193476.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193476

0 1
P 4.870283 0.019987 0.473085
O 1.022272 0.455033 -1.456251
O 3.595783 0.949288 1.007129
O 4.645075 -0.240300 -1.140823
O 4.386167 -1.452042 1.066672
O 6.196994 0.494819 0.841794
O -5.028879 2.307723 -0.223859
N -0.827252 0.016053 -0.113134
N -1.816008 -2.043423 0.203145
N -2.858288 1.430013 -0.218769
N -4.911194 0.059815 0.069303
N -4.872730 -2.326285 0.403268
C 2.354902 0.423308 0.497172
C 2.403685 0.546843 -1.051757
C 1.133819 1.272594 0.836345
C 0.205693 1.027873 -0.379984
C 3.309282 -0.539900 -1.623128
C -2.211697 0.252226 -0.096023
C -0.658208 -1.414842 0.057368
C -2.815223 -1.045265 0.118420
C -4.220381 -1.134449 0.198980
C -4.236705 1.403557 -0.144458
H 2.221664 -0.622742 0.870092
H 2.759843 1.557409 -1.377274
H 0.664294 0.997008 1.798042
H 1.398264 2.344295 0.941361
H -0.266828 1.952188 -0.798094
H 3.027376 -1.571351 -1.343690
H 3.427820 -0.477879 -2.724326
H 0.328233 -1.856106 0.044798
H 5.027630 -1.963216 1.616490
H -5.934471 0.082261 0.116216
H -4.330904 -3.181580 0.478483
H -5.873711 -2.403612 0.438408


%chk=000193476-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193476

0 1
P 5.059549 0.123645 0.448263
O 0.974342 0.300229 -1.362306
O 3.636371 0.877159 1.121728
O 4.731370 0.026739 -1.259325
O 4.806792 -1.500826 1.002124
O 6.439793 0.794044 0.797191
O -4.945320 2.385201 -0.726426
N -0.920939 -0.123074 0.032981
N -2.012984 -2.089429 0.497448
N -2.828385 1.362500 -0.403609
N -4.928968 0.122310 -0.152668
N -5.080527 -2.205018 0.439402
C 2.393743 0.334876 0.519558
C 2.372372 0.569656 -1.006590
C 1.129065 1.070448 0.971797
C 0.142144 0.832863 -0.222107
C 3.357774 -0.345463 -1.735504
C -2.292844 0.170688 -0.089845
C -0.821418 -1.491381 0.380310
C -2.939723 -1.065472 0.210501
C -4.346528 -1.082362 0.173083
C -4.214316 1.396733 -0.454770
H 2.338625 -0.750925 0.734728
H 2.641405 1.628444 -1.209314
H 0.717434 0.702183 1.922787
H 1.350142 2.146570 1.075240
H -0.359887 1.760791 -0.547281
H 3.160426 -1.412825 -1.525579
H 3.395009 -0.169163 -2.820456
H 0.136720 -1.988158 0.509993
H 5.637638 -2.005522 1.192675
H -5.946730 0.226383 -0.210157
H -4.568704 -3.056664 0.668314
H -6.096840 -2.225879 0.412817


