%chk=000290101.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290101

0 1
O 2.605401 0.625339 -3.052690
O -0.981479 0.528578 -1.566868
O -2.602741 2.550826 -0.651902
N -1.297238 -3.741857 -0.619615
C 1.029365 -0.741666 0.071637
C 2.335152 -0.698009 0.944850
C 1.466396 -0.591768 -1.401119
C 3.175202 0.573097 0.679814
C 0.366194 -2.136416 0.255543
C 2.266150 0.687013 -1.646684
C 0.042796 0.318684 0.562722
C 3.544527 0.723618 -0.796331
C 2.004410 -0.726808 2.414056
C 0.012007 0.611982 1.955407
C -0.958880 -2.283444 -0.510390
C 0.916687 -0.095379 2.874060
C -0.888542 0.969894 -0.261169
C -0.863078 1.570492 2.471031
C -1.766733 1.957485 0.277392
C -1.745899 2.262860 1.634883
C -2.246755 -3.972036 -1.750395
C -1.885812 -4.253010 0.654880
C -1.276787 1.516226 -2.589582
C -3.502286 3.581926 -0.177012
H 2.948014 -1.592005 0.676210
H 0.586651 -0.618735 -2.082196
H 2.072440 -1.468618 -1.706686
H 4.092677 0.543021 1.296991
H 2.607881 1.464385 1.017601
H 0.195199 -2.325558 1.332449
H 1.066992 -2.928322 -0.079088
H 1.645763 1.597167 -1.494926
H 4.100310 1.663610 -0.958575
H 4.224693 -0.090715 -1.114395
H 2.699999 -1.254476 3.058767
H -1.755275 -1.682840 -0.022056
H -0.845861 -1.856443 -1.534770
H 0.654595 -0.078135 3.930193
H 3.233962 1.326138 -3.289455
H -0.863342 1.789959 3.537887
H -2.408307 3.011312 2.058089
H -2.457396 -5.049944 -1.829552
H -1.758419 -3.669095 -2.690754
H -3.203767 -3.437070 -1.668611
H -1.157362 -4.109311 1.468463
H -2.057684 -5.336486 0.560576
H -2.830944 -3.776014 0.952039
H -0.702881 2.431279 -2.433412
H -2.355149 1.717395 -2.586004
H -0.962533 0.997332 -3.502849
H -4.203180 3.167862 0.553645
H -4.021985 3.865144 -1.101069
H -2.937148 4.424534 0.230669


%chk=000290101-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290101

0 1
O 2.666757 0.687703 -3.186012
O -0.952496 0.754775 -1.670609
O -2.777108 2.491448 -0.608479
N -1.421765 -3.765110 -0.470600
C 1.054757 -0.727015 -0.005003
C 2.357343 -0.714181 0.883994
C 1.530614 -0.584991 -1.484401
C 3.271232 0.523744 0.608328
C 0.380719 -2.138247 0.171856
C 2.372440 0.670338 -1.735334
C 0.056618 0.349209 0.514446
C 3.652058 0.648786 -0.883709
C 2.048758 -0.750798 2.367077
C -0.002462 0.563103 1.939199
C -0.870084 -2.400291 -0.691983
C 0.943575 -0.112297 2.841255
C -0.890848 1.034395 -0.293674
C -0.965600 1.436909 2.494631
C -1.863087 1.913142 0.291363
C -1.891095 2.121853 1.685061
C -2.325430 -4.170645 -1.567464
C -2.079014 -3.919192 0.843905
C -0.917271 1.878546 -2.632213
C -3.828212 3.339989 -0.044105
H 2.932134 -1.620993 0.600356
H 0.678336 -0.584839 -2.175283
H 2.161552 -1.467121 -1.719469
H 4.183256 0.445121 1.230436
H 2.738971 1.436746 0.941172
H 0.133633 -2.267489 1.241493
H 1.131898 -2.913724 -0.080148
H 1.782906 1.576639 -1.470563
H 4.251791 1.568641 -1.046947
H 4.272562 -0.214158 -1.198480
H 2.768743 -1.220479 3.048492
H -1.642310 -1.614216 -0.504229
H -0.598838 -2.327850 -1.760538
H 0.741519 -0.055568 3.918650
H 3.312138 1.418470 -3.367278
H -0.984857 1.584232 3.580720
H -2.630755 2.785941 2.141096
H -2.657131 -5.213461 -1.410373
H -1.786188 -4.123953 -2.530359
H -3.239575 -3.527757 -1.652804
H -1.365599 -3.713537 1.659440
H -2.431750 -4.960154 0.959532
H -2.959055 -3.236771 0.974654
H -0.376798 2.746937 -2.212211
H -1.942916 2.178986 -2.898176
H -0.372004 1.491444 -3.509055
H -4.459072 2.774631 0.668871
H -4.434046 3.656875 -0.905881
H -3.402942 4.229227 0.461052


