%chk=000181225.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181225

0 1
P -1.574676 0.956848 -0.716724
O -3.090248 0.361762 -0.441695
O -1.559780 2.417935 0.138130
O -1.294618 1.120435 -2.146942
O 0.810783 2.243600 1.914781
N -0.738353 -1.338090 0.012446
C -0.441438 0.041766 0.468255
C 0.174142 -2.367385 0.608235
C -0.156953 -3.751939 -0.002665
C 0.927266 0.555314 0.139070
C 0.237143 -3.805413 -1.481225
C 0.561725 -4.845831 0.796834
C 1.491650 1.605707 0.898323
C 1.700552 0.027573 -0.907643
C 2.804116 2.055012 0.692570
C -3.720452 0.510377 0.851725
C 3.002709 0.478942 -1.135723
C 3.559510 1.475607 -0.325921
C -4.321830 1.894170 1.011343
H -0.673640 0.238182 1.546340
H 0.101076 -2.406243 1.715388
H 1.228581 -2.099215 0.381230
H -1.259534 -3.926525 0.073829
H -1.707679 -1.591957 0.275056
H -0.230864 -2.980316 -2.038027
H -0.080031 -4.742750 -1.948155
H 1.319078 -3.714456 -1.620404
H 0.242884 -4.863277 1.843628
H 0.356716 -5.836914 0.375691
H 1.649153 -4.711117 0.783049
H 1.272779 -0.747642 -1.553272
H -1.601418 3.239766 -0.406699
H 3.201801 2.847256 1.323127
H -4.508629 -0.271570 0.784155
H -3.022398 0.255230 1.668105
H 3.584553 0.054386 -1.951365
H 4.581519 1.811535 -0.499657
H -5.061055 1.918083 1.820635
H -3.562740 2.658662 1.233177
H -4.834154 2.208211 0.089913
H -0.158145 2.353781 1.698082


%chk=000181225-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181225

0 1
P -1.633127 1.214896 -0.730911
O -3.193910 0.520278 -0.375594
O -1.458217 2.584603 0.395796
O -1.522631 1.627610 -2.255056
O 0.849632 2.290538 1.721710
N -0.594377 -1.281606 -0.287902
C -0.355384 0.094088 0.165921
C 0.046804 -2.327042 0.547963
C -0.179860 -3.739463 -0.043341
C 1.061038 0.589975 -0.067668
C 0.495826 -3.888417 -1.425265
C 0.326231 -4.811647 0.949565
C 1.610106 1.620278 0.755161
C 1.876150 0.000943 -1.065678
C 2.973971 1.975777 0.631309
C -3.768190 0.501298 1.004113
C 3.226579 0.376314 -1.209747
C 3.778819 1.352859 -0.343521
C -4.676718 1.709922 1.233998
H -0.611929 0.261858 1.243673
H -0.330852 -2.301704 1.600788
H 1.132285 -2.119358 0.591452
H -1.275722 -3.882598 -0.174905
H -1.593765 -1.480621 -0.441368
H 0.148639 -3.103593 -2.119427
H 0.273039 -4.875457 -1.870649
H 1.595310 -3.799524 -1.328344
H -0.188679 -4.740497 1.926231
H 0.158572 -5.827841 0.548842
H 1.412640 -4.696422 1.128145
H 1.426926 -0.769752 -1.700575
H -1.720753 3.460539 0.016654
H 3.368873 2.752806 1.292839
H -4.342243 -0.440686 1.032849
H -2.961364 0.452537 1.762249
H 3.846277 -0.089006 -1.983284
H 4.832026 1.640140 -0.438882
H -5.206698 1.603537 2.199525
H -4.094484 2.646412 1.261587
H -5.430205 1.779826 0.431351
H -0.091533 2.447702 1.387397


