%chk=000188347.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188347

0 1
P -0.000910 4.895562 -0.303254
P 2.247502 -0.664900 1.640817
P 2.667494 -3.177654 -0.262521
O 0.766911 1.097765 -2.084464
O 1.208036 3.825695 -0.662725
O -1.241529 2.935009 -0.062314
O 2.821832 0.495671 0.653784
O -0.961499 4.844429 -1.638818
O 0.815311 6.250187 -0.692161
O -0.603566 4.867026 1.048466
O 2.299999 -2.144167 0.973300
O 0.617791 -0.436762 1.465746
O 2.823035 -0.576733 2.970096
O -2.423588 -4.175716 0.938511
O 4.028886 -3.875031 0.270527
O 1.610313 -4.358091 0.022186
O 2.728010 -2.439678 -1.528171
N -0.830300 -0.311214 -1.136735
N -2.930593 -0.114194 0.267476
N -0.488177 -2.557877 -0.851116
N -3.639537 -2.243518 1.216009
N -4.829156 -0.246718 1.724870
C 1.168986 2.488740 -0.158199
C -0.266017 1.895344 -0.058271
C -0.473274 1.108667 -1.388048
C 1.847046 1.648487 -1.261045
C 2.728503 0.488312 -0.781034
C -1.846928 -0.789125 -0.296680
C -0.023777 -1.454961 -1.451036
C -1.621723 -2.175506 -0.124393
C -2.530830 -3.004506 0.690198
C -3.804758 -0.951091 1.054903
H 1.725996 2.486125 0.810146
H -0.375014 1.265673 0.859537
H -1.220137 1.572459 -2.078559
H 2.386431 2.301348 -1.993077
H 3.787835 0.641456 -1.089399
H 2.381055 -0.476794 -1.218988
H -1.445279 3.253176 0.916722
H 0.837964 -1.378973 -2.122126
H -3.007110 0.898619 0.227507
H -1.732121 4.221017 -1.642101
H 1.051428 6.366682 -1.657828
H 0.032057 -1.216763 1.679288
H -5.349117 0.436484 1.186700
H -5.446770 -0.843596 2.282429
H 3.942746 -4.491367 1.059510
H 0.625445 -4.216800 -0.249263


%chk=000188347-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188347

0 1
P -0.145454 5.181568 -0.579292
P 2.657171 -0.805684 1.705803
P 2.726016 -3.363833 -0.212694
O 0.710506 0.848707 -2.199361
O 0.491814 3.768741 -1.345939
O -1.802347 2.329584 -0.127627
O 1.807623 0.093703 0.474634
O -0.525098 6.134243 -1.937922
O 1.123519 6.110894 0.041757
O -1.241751 4.831277 0.520763
O 2.509343 -2.465420 1.358970
O 1.426128 -0.679515 2.894943
O 4.078280 -0.190991 2.026828
O -2.634805 -4.294620 1.174791
O 4.103223 -4.320900 0.132090
O 1.423821 -4.325111 -0.282886
O 3.023828 -2.246735 -1.319422
N -0.845894 -0.629100 -1.122741
N -2.933215 -0.240860 0.188235
N -0.568450 -2.782662 -0.651329
N -3.782814 -2.234276 1.296291
N -4.887316 -0.186117 1.518345
C 0.764764 2.558575 -0.504605
C -0.502612 1.687541 -0.262263
C -0.559119 0.776433 -1.526127
C 1.670369 1.650102 -1.367168
C 2.619110 0.742976 -0.586476
C -1.910282 -1.021674 -0.312340
C -0.033836 -1.725971 -1.306266
C -1.755917 -2.378778 -0.019333
C -2.723140 -3.079941 0.850719
C -3.855492 -0.939514 1.005260
H 1.244365 2.864010 0.441510
H -0.270308 1.073891 0.628491
H -1.360078 1.114024 -2.208535
H 2.251405 2.252722 -2.085166
H 3.438141 1.330596 -0.128299
H 3.036171 -0.042338 -1.244687
H -1.736020 3.245139 0.312061
H 0.935032 -1.714379 -1.807712
H -2.864280 0.798139 0.138040
H -1.198001 5.789038 -2.576191
H 1.548280 6.738590 -0.599505
H 1.229652 -1.544278 3.339890
H -5.040804 0.788962 1.274743
H -5.542178 -0.669839 2.128660
H 3.871218 -5.208821 0.509616
H 0.088335 -3.655900 -0.482153


