%chk=000268690.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268690

0 1
O -2.488558 -1.795285 1.203261
O 2.634226 2.189461 1.993319
O 2.220648 -0.178680 -2.093502
O 5.875705 1.422904 0.434948
O 5.039689 -0.464373 1.311744
O -0.551337 1.259791 -0.323600
O -0.209468 0.679496 1.725839
N 2.515789 0.066487 0.162770
N -0.397453 0.422814 0.540456
C 3.575528 1.075537 0.027689
C 3.151194 2.433636 0.689530
C 0.761059 -1.419682 -0.624965
C -0.362873 -0.999910 0.144733
C -1.353207 -1.931018 0.466938
C 1.884059 -0.469617 -0.963545
C -1.252050 -3.289108 -0.017993
C 2.160695 3.185185 -0.180950
C 0.856795 -2.716893 -1.084006
C 4.846173 0.543151 0.680911
C -0.161700 -3.651166 -0.782532
C -2.864995 -0.570093 1.895822
C -2.332380 -4.252275 0.333879
C -3.448522 0.448703 0.962604
C -3.349814 1.811466 1.279802
C -4.123847 0.045112 -0.197159
C -3.926698 2.763843 0.435854
C -4.692220 1.002697 -1.041339
C -4.596335 2.361583 -0.724926
H 3.790692 1.259742 -1.070316
H 4.070965 3.036615 0.899478
H 2.342830 -0.277265 1.110858
H 1.267108 2.590042 -0.427700
H 2.601735 3.499205 -1.134981
H 1.805341 4.092010 0.327919
H 1.712930 -3.031397 -1.686786
H -0.069481 -4.671350 -1.163292
H -3.643887 -0.987242 2.574392
H -2.014664 -0.205959 2.503825
H -2.356516 -4.435760 1.420860
H -3.324958 -3.852283 0.068105
H -2.222014 -5.223336 -0.164520
H 1.677683 1.940449 1.971877
H -2.815865 2.132130 2.174320
H -4.195966 -1.015388 -0.438816
H 6.734139 1.136455 0.849448
H -3.846872 3.822680 0.679424
H -5.208654 0.689314 -1.947583
H -5.038450 3.107174 -1.384294


%chk=000268690-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268690

0 1
O -2.329080 -1.896183 1.674269
O 2.705088 2.648649 1.706332
O 2.042861 0.248452 -2.029823
O 6.016219 1.331481 0.945444
O 4.691158 -0.289884 1.954673
O 0.164251 1.340257 0.951272
O -0.238842 -0.049522 2.710430
N 2.644225 0.147007 0.217633
N -0.123876 0.169459 1.439323
C 3.775755 1.069103 0.105479
C 3.371901 2.569479 0.408460
C 0.657478 -1.088313 -0.559145
C -0.279156 -0.956679 0.514278
C -1.331112 -1.907538 0.706350
C 1.821153 -0.155382 -0.846297
C -1.407186 -3.043527 -0.162681
C 2.533694 3.195300 -0.717338
C 0.528482 -2.188786 -1.425191
C 4.836950 0.606904 1.094903
C -0.477919 -3.157719 -1.214180
C -3.018837 -0.663993 2.195605
C -2.500335 -4.068066 0.044061
C -3.560906 0.218699 1.090265
C -3.134319 1.562735 0.958648
C -4.531722 -0.290506 0.187108
C -3.667143 2.386605 -0.059108
C -5.057616 0.527336 -0.834135
C -4.626170 1.870306 -0.958851
H 4.184282 1.027108 -0.921514
H 4.312216 3.132391 0.540228
H 2.555611 -0.338436 1.116889
H 1.575056 2.666106 -0.851479
H 3.070232 3.163850 -1.681991
H 2.321508 4.248466 -0.462021
H 1.233014 -2.279923 -2.256348
H -0.550002 -4.016191 -1.890581
H -3.828441 -1.126893 2.783440
H -2.342142 -0.120875 2.875831
H -2.435500 -4.524012 1.048110
H -3.499014 -3.598521 -0.017363
H -2.437173 -4.866772 -0.713367
H 1.762480 2.334890 1.607657
H -2.388032 1.971056 1.650396
H -4.870748 -1.329005 0.289162
H 6.674985 1.045094 1.633989
H -3.327283 3.423504 -0.152247
H -5.804701 0.125352 -1.527418
H -5.035146 2.506742 -1.751355


