%chk=000194346.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194346

1 1
P -3.845047 0.465732 -0.444191
O -2.269658 -0.027966 -0.771999
O -3.709119 1.976088 0.099171
O -4.319987 0.666821 -1.996827
O -4.527211 -0.498930 0.422983
N 0.292806 -2.359094 0.560559
C -0.493155 -1.431598 -0.354441
C 1.580455 1.339888 -1.025212
C 0.641430 2.331511 -0.325461
C 2.711663 0.874479 -0.102205
C -0.604396 -3.456131 1.090123
C 0.885499 -1.588027 1.717041
C 1.417107 -2.980816 -0.239858
C -0.649367 2.542339 -1.129187
C 3.589672 -0.191890 -0.766456
C -1.606478 -0.634871 0.348617
C -1.714712 3.279370 -0.309839
C 4.687283 -0.694185 0.178885
C -3.140343 3.007598 -0.778984
C 5.530983 -1.800590 -0.470365
C 6.608737 -2.314969 0.478847
H 0.206723 -0.689954 -0.853585
H -0.949072 -2.010524 -1.195802
H 0.999418 0.460774 -1.391113
H 2.003644 1.807737 -1.938062
H 1.158014 3.302546 -0.182024
H 0.398796 1.977812 0.694371
H 2.292898 0.483640 0.853500
H 3.337167 1.744596 0.189878
H -1.037235 -4.062822 0.271239
H -1.457381 -3.049417 1.669324
H -0.058226 -4.148709 1.757879
H 0.109400 -1.202582 2.402329
H 1.483463 -0.706828 1.358769
H 1.567777 -2.213492 2.322432
H 2.014432 -3.687455 0.365656
H 2.131860 -2.200509 -0.619599
H 1.041452 -3.538385 -1.116840
H -0.429140 3.109215 -2.055663
H -1.040745 1.562054 -1.476190
H 2.966445 -1.047271 -1.113642
H 4.053042 0.224059 -1.685930
H -1.197457 0.175353 0.988656
H -2.296629 -1.284969 0.931940
H -1.643543 3.012140 0.767205
H -1.520330 4.372539 -0.339445
H 5.349298 0.149804 0.465726
H 4.253173 -1.057522 1.127796
H -3.819050 3.861261 -0.564244
H -3.222843 2.735786 -1.846696
H 4.887507 -2.639250 -0.795310
H 6.008839 -1.413781 -1.394525
H 6.188400 -2.740783 1.395646
H 7.301438 -1.517412 0.777913
H 7.215556 -3.096997 0.003901
H -4.948454 -0.000314 -2.387391


%chk=000194346-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194346

1 1
P -4.306513 0.871195 -0.146312
O -3.150699 -0.335434 -0.737789
O -3.373736 2.246672 0.167524
O -5.045955 1.268380 -1.632090
O -5.150761 0.322395 1.072835
N -0.513315 -2.831124 0.306219
C -1.319182 -1.753244 -0.458239
C 1.830897 0.988812 -0.394502
C 1.032762 2.312490 -0.430885
C 3.354703 1.165211 -0.219220
C -1.325686 -4.118924 0.438962
C -0.111568 -2.332023 1.694765
C 0.756096 -3.120975 -0.500725
C -0.478606 2.080918 -0.644434
C 4.123980 -0.175124 -0.178335
C -2.543315 -1.198196 0.287670
C -1.325524 3.370330 -0.602405
C 5.650587 -0.002316 -0.010584
C -2.803334 3.134192 -0.916440
C 6.422283 -1.341523 0.017333
C 7.945734 -1.152287 0.180071
H -0.624531 -0.927693 -0.683695
H -1.647834 -2.211108 -1.406712
H 1.445973 0.364306 0.447215
H 1.638882 0.422916 -1.334021
H 1.429975 2.954698 -1.242272
H 1.197086 2.866678 0.515083
H 3.554237 1.733295 0.711817
H 3.745886 1.784956 -1.051007
H -1.596473 -4.476433 -0.566116
H -2.235412 -3.922064 1.023654
H -0.713334 -4.875412 0.953238
H -1.008156 -2.223451 2.321916
H 0.399062 -1.362410 1.590873
H 0.569397 -3.067308 2.150253
H 1.313095 -3.935375 -0.012492
H 1.375010 -2.211113 -0.536224
H 0.470504 -3.421167 -1.520468
H -0.637833 1.570680 -1.618550
H -0.855398 1.396415 0.143911
H 3.736988 -0.797373 0.660127
H 3.925962 -0.741371 -1.114933
H -2.256702 -0.609344 1.179807
H -3.265851 -1.977988 0.592359
H -1.234564 3.854333 0.388174
H -0.947723 4.099667 -1.348305
H 6.039286 0.624543 -0.839184
H 5.855800 0.558062 0.924645
H -3.394124 4.063437 -0.867042
H -2.950917 2.655489 -1.901142
H 6.037187 -1.969297 0.847917
H 6.218292 -1.900278 -0.919609
H 8.183405 -0.627594 1.124073
H 8.361637 -0.552233 -0.650553
H 8.474622 -2.122284 0.191721
H -5.857485 0.757495 -1.878579


