%chk=000188966.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188966

0 1
P 3.175437 -1.602343 0.886274
P 3.187362 1.312125 -0.185379
O -1.564787 -2.236899 1.076844
O 0.679144 -3.572386 -1.223121
O 1.854529 -1.643677 1.836075
O 3.542806 -0.021884 0.708432
O 2.592594 -1.790943 -0.657700
O 4.240972 -2.480703 1.332048
O 1.649591 1.562590 0.363915
O 2.863101 0.723887 -1.663746
O 4.120932 2.415529 -0.063825
N -2.638389 -0.520113 -0.135264
N -3.630082 1.457254 0.530424
N -0.709324 0.475006 -1.418803
N -0.714672 2.922575 -1.385979
N -2.374714 4.191542 -0.279194
C -0.085123 -2.441065 -0.815963
C -0.158258 -2.361215 0.732061
C -2.358189 -1.973537 -0.095253
C -1.547317 -2.477413 -1.293000
C 0.577158 -1.168165 1.357644
C -1.846828 0.519965 -0.652102
C -3.700706 0.129859 0.599529
C -2.485033 1.741592 -0.236288
C -1.874690 2.968444 -0.632992
C -0.206022 1.702671 -1.736653
H 0.483506 -1.594749 -1.283946
H 0.158519 -3.310416 1.224346
H -3.314555 -2.516144 0.097325
H -1.681257 -1.852148 -2.200781
H -1.855843 -3.495791 -1.588919
H 0.072870 -0.855867 2.300270
H 0.659118 -0.284840 0.694552
H 0.281883 -4.419286 -0.932628
H -4.451032 -0.447427 1.123240
H 0.719496 1.717316 -2.346161
H -3.243813 4.257347 0.230183
H -1.946638 5.040732 -0.616383
H 2.478650 -2.716222 -1.034779
H 1.422859 2.452373 0.736331
H 2.503344 -0.221874 -1.746732


%chk=000188966-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188966

0 1
P 3.451193 -1.859985 0.720915
P 4.120021 1.071884 -0.361844
O -1.592320 -1.889341 1.268106
O 0.758231 -3.199027 -1.277301
O 2.074661 -2.164519 1.705211
O 3.677162 -0.158253 0.836525
O 2.879157 -1.890687 -0.910282
O 4.650939 -2.808430 1.083033
O 2.777677 2.137781 -0.179431
O 3.781538 0.323884 -1.825179
O 5.527366 1.741548 -0.127044
N -2.926966 -0.459462 -0.152799
N -4.398517 1.308152 -0.227941
N -0.805697 0.784907 -0.609335
N -1.195223 3.191224 -0.913697
N -3.344761 4.164341 -0.812533
C -0.195793 -2.244708 -0.673774
C -0.223115 -2.311112 0.876867
C -2.472031 -1.835537 0.078462
C -1.665122 -2.469286 -1.083262
C 0.793670 -1.410165 1.601399
C -2.155270 0.682517 -0.434082
C -4.259987 -0.009583 -0.028727
C -3.085513 1.754714 -0.479770
C -2.553492 3.052934 -0.738832
C -0.407522 2.077225 -0.841079
H 0.141355 -1.250803 -1.005718
H -0.066432 -3.356008 1.223914
H -3.380240 -2.416327 0.315736
H -1.908704 -2.020360 -2.057569
H -1.891062 -3.551879 -1.126583
H 0.476455 -1.249406 2.643451
H 0.921530 -0.438658 1.093037
H 0.551840 -4.138530 -1.048164
H -5.073137 -0.694216 0.206315
H 0.669310 2.230737 -0.960749
H -4.350636 4.084297 -0.677912
H -2.910214 5.067032 -0.994796
H 2.123523 -2.565715 -1.161670
H 2.974926 2.931326 0.382023
H 3.387801 -0.626806 -1.721018


