%chk=000202205.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202205

0 1
P 0.845342 0.087735 -0.000976
O 1.538651 1.485209 0.582060
O 1.983963 -0.954183 0.624549
O 0.615314 0.025734 -1.456555
N -0.531072 -0.115798 1.009382
C -1.758627 0.602477 0.532465
C -2.995635 -0.171082 1.053701
C -1.807230 2.076143 0.947634
C -4.238574 0.223657 0.306409
C -0.240644 -0.057590 2.467201
C -4.460958 -0.259619 -0.993229
C -5.184563 1.073222 0.899614
C -5.617024 0.103568 -1.687598
C -6.340670 1.431921 0.200483
C 2.710672 1.939590 -0.020541
C 1.901637 -2.301081 0.280997
C -6.559806 0.949158 -1.093045
C 3.735108 2.276251 0.876535
C 2.138575 -3.174890 1.353817
C 2.819663 2.141673 -1.401639
C 1.695725 -2.754571 -1.027401
C 4.904616 2.836983 0.361693
C 2.164063 -4.545963 1.096336
C 4.005448 2.699111 -1.888301
C 1.720056 -4.133653 -1.252833
C 5.042195 3.047482 -1.015927
C 1.951523 -5.026978 -0.201365
H -1.767768 0.541162 -0.597144
H -3.118827 -0.011600 2.142099
H -2.815252 -1.263170 0.940667
H -0.938884 2.643237 0.588812
H -1.849434 2.204113 2.034034
H -2.700764 2.561447 0.531486
H -1.116357 -0.428225 3.028613
H -0.002635 0.952972 2.843529
H 0.603790 -0.729903 2.714560
H -3.730391 -0.917805 -1.461547
H -5.020701 1.454535 1.904900
H -5.784087 -0.273285 -2.695572
H -7.072365 2.089983 0.666103
H -7.459651 1.229572 -1.635618
H 3.603327 2.098440 1.940710
H 2.308622 -2.775780 2.349960
H 2.012642 1.868582 -2.086985
H 1.521224 -2.061913 -1.857367
H 5.715278 3.108646 1.037072
H 2.349466 -5.244477 1.911783
H 4.117898 2.863457 -2.960170
H 1.559626 -4.511985 -2.262847
H 5.958919 3.481675 -1.408697
H 1.968978 -6.097590 -0.392446


%chk=000202205-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202205

0 1
P 0.881740 0.658253 0.014505
O 2.001269 1.863326 0.571948
O 1.900554 -0.710965 0.446624
O 0.396949 0.733389 -1.500899
N -0.374469 0.737369 1.165134
C -1.772997 0.988281 0.698212
C -2.635058 -0.308433 0.824335
C -2.398639 2.193872 1.428066
C -3.983289 -0.178751 0.129677
C -0.086320 0.605941 2.606638
C -4.050094 -0.104246 -1.287616
C -5.192541 -0.115529 0.867222
C -5.291264 0.030628 -1.947229
C -6.437892 0.018709 0.210862
C 3.271525 2.095362 -0.036133
C 1.498104 -2.058188 0.217905
C -6.491253 0.093391 -1.199734
C 4.296209 2.527609 0.831328
C 2.050303 -3.013151 1.100097
C 3.481499 1.968110 -1.427612
C 0.642115 -2.441483 -0.841230
C 5.563155 2.840649 0.291280
C 1.736648 -4.377879 0.920090
C 4.759117 2.273841 -1.948120
C 0.330787 -3.811707 -0.998460
C 5.800863 2.711043 -1.097429
C 0.871964 -4.782452 -0.124706
H -1.694318 1.230482 -0.378612
H -2.783125 -0.551236 1.894209
H -2.053802 -1.137074 0.375714
H -1.766592 3.091500 1.312386
H -2.533996 1.994891 2.507237
H -3.393231 2.407539 1.000484
H -0.758663 -0.142471 3.064497
H -0.206865 1.571587 3.130654
H 0.951601 0.263277 2.748619
H -3.124488 -0.159083 -1.875239
H -5.158145 -0.175063 1.962381
H -5.324396 0.083317 -3.041438
H -7.362673 0.062725 0.797529
H -7.454978 0.196168 -1.711056
H 4.090149 2.613517 1.902326
H 2.716827 -2.677385 1.900283
H 2.665682 1.644572 -2.082905
H 0.252732 -1.689767 -1.536446
H 6.363820 3.179620 0.957893
H 2.166812 -5.122843 1.598602
H 4.934632 2.175385 -3.025032
H -0.330134 -4.118035 -1.816913
H 6.786232 2.949603 -1.511605
H 0.628336 -5.841615 -0.258922


