%chk=000187714.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187714

0 1
P 2.717715 -0.857380 0.548497
O -1.199864 -0.658852 -1.735203
O -2.452481 -0.874370 0.087088
O 2.513585 -2.229656 -0.370947
O 1.569297 0.194947 -0.017455
O -1.192343 2.249099 -1.297649
O -4.018900 2.814921 -0.650968
O -4.664849 1.446607 1.908379
O 2.541391 -1.096875 1.988366
O -3.601332 -1.804708 2.998711
O -4.891471 -2.093917 1.182769
N 4.240801 -0.255460 -0.046020
C 1.192342 -1.045017 -2.115030
C -0.140346 -1.639947 -1.598091
C 2.332982 -2.039822 -1.787789
C 1.503949 0.317455 -1.454963
C -1.519448 0.050468 -0.555327
C -2.255838 1.321992 -1.031076
C -3.158836 1.921051 0.068844
C -4.007526 0.853971 0.795205
C 1.117495 -0.843723 -3.631425
C -3.125138 -0.338981 1.230299
C 4.956395 0.786718 0.774819
C -3.992537 -1.502214 1.715481
C 6.111156 1.308195 -0.106003
C 3.994801 1.938271 1.109788
C 5.527110 0.177288 2.069283
H -0.069522 -2.002796 -0.557483
H -0.501598 -2.462705 -2.243493
H 2.094792 -3.069232 -2.126339
H 3.292359 -1.732843 -2.245198
H 2.437773 0.770485 -1.837652
H 0.671705 1.047154 -1.597198
H -0.656026 0.232739 0.120385
H -2.834491 1.133595 -1.966929
H -2.557906 2.526246 0.786891
H -4.861679 0.514667 0.151811
H 0.245260 -0.221972 -3.889833
H 2.006942 -0.349124 -4.035168
H 0.993636 -1.792157 -4.166894
H -2.377525 -0.055773 2.011009
H 4.903095 -0.970418 -0.401472
H -1.568585 3.065790 -1.704565
H -4.760478 3.111020 -0.070388
H 5.734376 1.701398 -1.057461
H 6.652714 2.117728 0.394028
H 6.840773 0.526478 -0.337159
H 3.263660 1.673001 1.886184
H 3.433641 2.276363 0.229275
H 4.543976 2.804617 1.494580
H 6.195603 -0.665570 1.874148
H 6.095102 0.918907 2.639639
H 4.733742 -0.191411 2.739905
H -4.032524 1.697869 2.617320
H -4.114225 -2.561917 3.393273


%chk=000187714-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187714

0 1
P 2.721416 -0.835093 0.530253
O -1.222349 -0.740175 -1.908085
O -2.609222 -0.997138 -0.041202
O 2.652402 -2.234220 -0.515073
O 1.525819 0.233491 -0.151836
O -1.411987 2.135909 -1.702723
O -3.693345 3.040224 -0.263801
O -4.269784 1.606496 2.142376
O 2.374119 -1.114888 2.049401
O -4.705563 -0.958027 2.933915
O -3.945586 -2.737946 1.644234
N 4.281904 -0.220447 0.092616
C 1.214730 -1.073252 -2.278178
C -0.100865 -1.684440 -1.725571
C 2.389964 -2.035793 -1.972721
C 1.497479 0.312331 -1.643786
C -1.643773 -0.077666 -0.726006
C -2.380526 1.214248 -1.104640
C -2.973267 1.838415 0.167097
C -3.891631 0.875556 0.933628
C 1.111439 -0.885596 -3.811890
C -3.089136 -0.434459 1.218975
C 5.008652 0.838704 0.875179
C -3.916485 -1.526496 1.894125
C 6.148187 1.343407 -0.042371
C 4.031787 1.994220 1.198139
C 5.586729 0.243955 2.189195
H -0.004318 -1.963434 -0.661212
H -0.367496 -2.587643 -2.302929
H 2.180911 -3.057390 -2.335353
H 3.312983 -1.659077 -2.459256
H 2.470921 0.705532 -1.999871
H 0.692848 1.032882 -1.863580
H -0.796795 0.126587 -0.033622
H -3.192463 0.971959 -1.820007
H -2.142531 2.123353 0.850985
H -4.780882 0.623919 0.318002
H 0.211769 -0.293954 -4.052935
H 1.995680 -0.359431 -4.218519
H 1.028203 -1.861310 -4.326174
H -2.245505 -0.177716 1.903081
H 4.890264 -0.927693 -0.336501
H -1.851462 3.025678 -1.741991
H -4.115632 3.438581 0.540294
H 5.738137 1.778017 -0.970822
H 6.739602 2.117293 0.478708
H 6.837976 0.520840 -0.314047
H 3.216252 1.659886 1.864900
H 3.582779 2.402479 0.276309
H 4.578739 2.802611 1.714886
H 6.293014 -0.578939 1.970908
H 6.128510 1.019325 2.761567
H 4.772130 -0.156131 2.818614
H -4.746471 0.972833 2.744550
H -5.215571 -1.678182 3.393568


