%chk=000218203.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218203

0 1
O -0.986023 -0.705882 -0.058192
O -3.074942 0.398534 -0.090358
O 1.648309 0.829393 -0.316629
O 1.610175 0.160207 1.892003
O 3.536981 0.389100 -1.644621
N 3.393269 -0.416439 0.495544
C -2.444798 -0.934500 0.016692
C -2.807834 -1.575394 1.351462
C -2.886537 -1.818379 -1.144142
C -3.355141 -2.968342 1.004056
C -3.677804 -2.970960 -0.506219
C -0.797417 0.658339 -0.150631
C -2.058360 1.329656 -0.178886
C 0.370864 1.398182 -0.216236
C -2.172288 2.699661 -0.282803
C 0.279301 2.805593 -0.319891
C -0.962783 3.428865 -0.357090
C 2.144241 0.186577 0.809674
C 4.017446 -1.191993 1.601531
C 4.035025 -0.300950 -0.787977
C 5.311629 -1.067120 -0.953983
H -3.557652 -0.955850 1.880470
H -1.924192 -1.625925 2.016542
H -2.000618 -2.182876 -1.700669
H -3.493725 -1.245553 -1.869300
H -4.249971 -3.207557 1.602206
H -2.604929 -3.744907 1.238933
H -3.417302 -3.938305 -0.966718
H -4.761520 -2.828759 -0.668523
H -3.137719 3.195743 -0.305342
H 1.203584 3.379947 -0.381557
H -1.015353 4.514917 -0.442329
H 4.109736 -2.255348 1.327700
H 3.394380 -1.135833 2.518368
H 5.010292 -0.784942 1.851220
H 5.175769 -2.148146 -0.809994
H 5.699503 -0.924567 -1.977919
H 6.097705 -0.730786 -0.263792


%chk=000218203-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218203

0 1
O -1.020089 -0.656513 -0.371149
O -3.138062 0.455703 -0.325840
O 1.626205 0.845201 -0.422549
O 1.290691 -0.232437 1.634336
O 4.217279 1.173778 -0.949076
N 3.299420 -0.523395 0.432117
C -2.492245 -0.886371 -0.106920
C -2.718575 -1.388050 1.336446
C -3.035086 -1.961945 -1.069070
C -2.909554 -2.916687 1.177988
C -3.694418 -3.034883 -0.158668
C -0.844540 0.736304 -0.338033
C -2.089840 1.403089 -0.339415
C 0.345383 1.470267 -0.358343
C -2.195913 2.795107 -0.396127
C 0.276835 2.883208 -0.417609
C -0.978178 3.530688 -0.438630
C 2.008581 0.028325 0.644481
C 3.647951 -1.676257 1.303353
C 4.289852 0.022910 -0.458129
C 5.468691 -0.903215 -0.749647
H -3.650155 -0.923846 1.710497
H -1.886407 -1.094762 1.996832
H -2.176294 -2.384086 -1.619790
H -3.723229 -1.512014 -1.802785
H -3.440878 -3.369300 2.032684
H -1.925868 -3.415276 1.086699
H -3.648757 -4.045462 -0.599335
H -4.759846 -2.789220 0.011449
H -3.169615 3.290787 -0.407815
H 1.213027 3.447207 -0.447871
H -1.015118 4.623502 -0.482230
H 3.855353 -2.575467 0.698788
H 2.789783 -1.872497 1.961787
H 4.525016 -1.446918 1.932473
H 5.132734 -1.877355 -1.148213
H 6.105033 -0.404671 -1.494967
H 6.072133 -1.100051 0.154882


