%chk=000231354.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231354

0 1
I -5.775192 -2.870572 -2.207490
I -3.820812 4.446055 -0.446324
P 3.243433 -0.419458 0.231479
O 4.665867 -1.234947 0.470190
O 2.940175 -0.842909 -1.345711
O 3.256287 1.043523 0.485708
N -3.261264 0.064807 -0.122493
C 2.100830 -1.513703 1.231190
C 0.716156 -1.070515 0.871361
C 2.462165 -1.355438 2.701720
C -1.908051 -0.281895 0.151843
C 0.151609 0.107317 1.391041
C -0.051353 -1.845287 -0.013686
C -1.135509 0.502632 1.039036
C -1.340941 -1.462601 -0.376770
C -3.965010 -0.617076 -1.248080
C -3.711762 1.458850 0.131436
C 5.868640 -0.645393 -0.084817
C 2.671810 0.231102 -2.282413
C -4.760852 -1.771282 -0.651055
C -3.121851 2.452065 -0.862707
C 6.316080 0.569942 0.705986
C 1.311906 0.863122 -2.045327
H 2.265050 -2.582512 0.931185
H 2.439164 -0.312977 3.052345
H 3.461236 -1.758790 2.926414
H 1.747396 -1.907615 3.329507
H 0.729438 0.734909 2.074801
H 0.366751 -2.761371 -0.434526
H -1.541888 1.416127 1.470196
H -1.901121 -2.093430 -1.063721
H -3.247671 -0.983166 -2.020557
H -4.643127 0.093308 -1.774302
H -3.431475 1.732590 1.178995
H -4.826824 1.474465 0.101367
H 5.723867 -0.428430 -1.159207
H 6.579918 -1.491666 0.020241
H 2.709878 -0.324387 -3.242445
H 3.490037 0.975269 -2.249874
H -5.529222 -1.424428 0.056978
H -4.118976 -2.487403 -0.112254
H -3.402186 2.229152 -1.902264
H -2.020362 2.483440 -0.813406
H 5.627061 1.425231 0.591808
H 6.357132 0.353864 1.781889
H 7.310264 0.906264 0.393907
H 0.546759 0.103267 -1.829031
H 1.324198 1.560953 -1.192157
H 0.980640 1.430399 -2.921503


%chk=000231354-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231354

0 1
I -6.143766 -3.029976 -1.595361
I -4.273475 4.543498 0.102192
P 3.369634 -0.306881 0.321405
O 4.817694 -1.163512 0.745251
O 3.288015 -0.572307 -1.402882
O 3.298976 1.244674 0.712544
N -3.322501 0.186117 -0.278964
C 2.085551 -1.472849 1.086225
C 0.683101 -1.022515 0.711315
C 2.332072 -1.560190 2.613138
C -2.003167 -0.213029 0.045190
C 0.171916 0.235067 1.125215
C -0.169573 -1.859509 -0.047220
C -1.136133 0.636116 0.799863
C -1.485437 -1.476316 -0.372701
C -4.184313 -0.645223 -1.137013
C -3.885670 1.451400 0.224148
C 6.125955 -0.700358 0.204574
C 2.984060 0.582757 -2.298826
C -4.901660 -1.722406 -0.296909
C -3.492191 2.623747 -0.698453
C 6.673689 0.503983 0.978950
C 1.574424 0.438010 -2.875792
H 2.306598 -2.447514 0.616003
H 2.202598 -0.576631 3.097746
H 3.350901 -1.923395 2.829184
H 1.600424 -2.258526 3.056702
H 0.814058 0.926012 1.682791
H 0.196819 -2.834316 -0.391012
H -1.468373 1.625364 1.128439
H -2.100762 -2.174133 -0.948522
H -3.595520 -1.112421 -1.946049
H -4.936431 -0.001848 -1.627200
H -3.548958 1.644198 1.257790
H -4.986397 1.367905 0.262388
H 6.011350 -0.477375 -0.874418
H 6.774594 -1.585887 0.313678
H 3.753821 0.539869 -3.089563
H 3.095835 1.524020 -1.727148
H -5.604646 -1.288075 0.429864
H -4.200241 -2.401029 0.209648
H -3.929536 2.532943 -1.704228
H -2.403488 2.762046 -0.765890
H 6.001414 1.373472 0.881410
H 6.776531 0.262465 2.050942
H 7.671692 0.778623 0.587136
H 1.464308 -0.528275 -3.397795
H 0.813712 0.492630 -2.077651
H 1.380795 1.250982 -3.601631


