%chk=000197570.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197570

0 1
P -2.843066 1.103158 0.996802
P -3.809291 -0.276026 -1.529372
O 1.396218 3.022390 -0.081735
O 2.146145 0.920059 -2.453646
O -0.299896 1.280886 -2.407115
O -2.149805 2.526356 0.612401
O -2.695632 0.362952 -0.522141
O -4.392804 1.572978 0.986756
O -2.311919 0.284196 2.078172
O -3.316772 -1.739558 -2.003259
O -3.466429 0.645019 -2.856931
O -0.136715 -2.063559 -4.499300
O -5.156947 -0.172893 -0.941642
O 2.015295 -3.088792 -3.924418
O 1.877081 -2.191826 -0.454900
O -0.739857 -1.919974 -1.053536
N 2.730805 1.444736 1.066733
N 3.917872 1.268060 3.037279
N 0.808680 -0.054668 1.670602
N 0.993545 -0.972888 3.927278
N 2.848229 -0.567854 5.335756
C 1.651276 0.861320 -1.126707
C 0.139926 1.195338 -1.041666
C 2.343376 1.952768 -0.258311
C 0.039997 2.588158 -0.380922
C -0.739806 2.659140 0.939401
C 2.003354 0.577554 1.898554
C 3.886338 1.843461 1.836299
C 2.758257 0.474194 3.117260
C 2.214716 -0.357694 4.142027
C 0.356204 -0.785693 2.733977
C 0.291528 -1.586157 -3.227536
C 1.672890 -2.182751 -2.855487
C -2.223812 -1.815846 -2.948409
C -0.869127 -1.808293 -2.247316
C 1.758738 -3.051017 -1.586290
H 1.900387 -0.187945 -0.798270
H -0.429726 0.390241 -0.517845
H 3.219790 2.434811 -0.755125
H -0.337108 3.351147 -1.101742
H -0.674542 3.680709 1.372635
H -0.394277 1.931116 1.699450
H 1.696069 1.640720 -2.969241
H -1.284436 1.392340 -2.438387
H 4.617883 2.528552 1.431035
H -0.642133 -1.259508 2.618599
H 2.434520 -1.156123 6.042554
H 3.734824 -0.127268 5.527020
H -5.110453 0.925003 0.628621
H 0.389498 -0.464135 -3.364599
H 2.424361 -1.355619 -2.795376
H -2.295376 -1.047743 -3.749574
H -2.397830 -2.812424 -3.420346
H 2.705789 -3.629821 -1.592209
H 0.909408 -3.743516 -1.475727
H -4.052319 1.423691 -3.044909
H 0.265651 -2.969634 -4.674839
H 2.498933 -2.604574 -4.631643
H 0.967798 -1.951654 -0.105141


%chk=000197570-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197570

0 1
P -3.072131 1.275004 0.593684
P -4.120347 -0.242775 -1.934025
O 1.459285 3.162805 0.355410
O 2.199579 1.351165 -2.241840
O -0.362201 1.203921 -2.048177
O -2.270260 2.765921 0.450962
O -2.908874 0.712248 -1.146708
O -4.687651 1.762346 0.621327
O -2.531292 0.218603 1.633998
O -3.599598 -1.839023 -2.162975
O -3.994823 0.337973 -3.539475
O -0.288023 -3.248505 -4.314326
O -5.503986 -0.113613 -1.159770
O 2.191001 -2.499922 -4.226023
O 1.678939 -2.356133 -0.525281
O -0.951402 -1.777741 -1.247337
N 2.933787 1.519581 1.339629
N 4.374922 1.049916 3.069789
N 0.914157 0.324261 2.171901
N 1.313736 -0.784271 4.325341
N 3.390126 -0.695971 5.448090
C 1.773181 1.075264 -0.867504
C 0.244020 1.327119 -0.718743
C 2.445688 2.098676 0.082027
C 0.124403 2.773873 -0.166486
C -0.872414 2.921632 0.993233
C 2.212142 0.734940 2.250323
C 4.219178 1.678761 1.893596
C 3.119045 0.453323 3.304788
C 2.618536 -0.347965 4.373639
C 0.545183 -0.432192 3.251351
C 0.013138 -2.056828 -3.508637
C 1.473961 -2.082082 -2.992837
C -2.500512 -2.185592 -3.092644
C -1.111492 -1.984576 -2.474288
C 1.783669 -3.039046 -1.815736
H 2.045704 0.037942 -0.602100
H -0.173953 0.590892 -0.011123
H 3.309682 2.559505 -0.426369
H -0.139760 3.462794 -0.991028
H -0.868031 3.943427 1.401099
H -0.671097 2.172397 1.779141
H 1.360066 1.451312 -2.776105
H -1.343327 1.052296 -1.914290
H 4.989119 2.259636 1.389285
H -0.488352 -0.789889 3.252534
H 2.981802 -1.271533 6.181754
H 4.357810 -0.385154 5.500677
H -5.308116 1.105186 0.149005
H -0.084024 -1.143294 -4.141866
H 1.779793 -1.058963 -2.700470
H -2.600952 -1.633740 -4.043522
H -2.641548 -3.259958 -3.300502
H 2.837127 -3.360192 -1.885437
H 1.143255 -3.944741 -1.860587
H -4.293729 1.268705 -3.699173
H 0.528829 -3.405395 -4.864448
H 3.149395 -2.272986 -4.157194
H 0.722937 -2.103745 -0.391958


