%chk=000250056.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250056

0 1
Cl -4.279673 1.998859 -0.606136
O -6.106933 -0.257718 0.167378
N -0.169936 0.523591 -0.031027
N -1.461987 0.962835 -0.209707
N -4.474815 -1.748553 0.718945
N -3.197336 -2.126942 0.872739
C 3.839881 -1.016524 -0.540224
C 2.191119 0.705849 -0.059115
C 4.741237 -0.394653 0.353788
C 2.568735 -0.461117 -0.737022
C 3.081026 1.321085 0.831279
C 4.346781 0.768179 1.031771
C 0.847354 1.303205 -0.286252
C 4.223265 -2.260331 -1.274623
C 6.103498 -0.962268 0.587112
C 0.804852 2.716757 -0.777815
C -2.495058 0.081280 0.097355
C -3.818605 0.456520 -0.053271
C -2.234173 -1.275207 0.584089
C -4.913335 -0.444560 0.250735
H 1.862928 -0.941208 -1.415303
H 2.787022 2.218797 1.371542
H 5.034462 1.247248 1.727847
H 5.109811 -2.096861 -1.903931
H 4.462712 -3.076578 -0.577273
H 3.424678 -2.627298 -1.932926
H 6.681544 -1.012337 -0.347006
H 6.693747 -0.371006 1.299187
H 6.045196 -1.984448 0.989443
H 0.250082 2.806505 -1.723215
H 0.343297 3.392675 -0.043439
H 1.813141 3.112981 -0.978656
H -1.678489 1.913171 -0.530511
H -1.194188 -1.610930 0.722041
H -5.178940 -2.460300 0.961998


%chk=000250056-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250056

0 1
Cl -4.181737 2.229285 -0.155840
O -6.175804 -0.188714 -0.087689
N -0.118754 0.445851 0.000807
N -1.422807 0.915983 -0.039285
N -4.504737 -1.826128 0.021896
N -3.226031 -2.312493 0.073018
C 3.777653 -1.142647 -0.218852
C 2.247308 0.799348 0.015954
C 4.900120 -0.304289 0.079509
C 2.485174 -0.581841 -0.244593
C 3.369165 1.618496 0.311596
C 4.667036 1.066206 0.342131
C 0.864280 1.340173 -0.015606
C 3.973085 -2.619961 -0.509782
C 6.308041 -0.866887 0.112484
C 0.598125 2.836742 -0.074546
C -2.482912 0.023901 -0.019780
C -3.813188 0.457402 -0.066682
C -2.244633 -1.407808 0.052566
C -4.940905 -0.459528 -0.048982
H 1.624261 -1.216429 -0.477405
H 3.245786 2.681620 0.542195
H 5.518971 1.714717 0.578600
H 4.641542 -2.779679 -1.377689
H 4.436436 -3.144900 0.347842
H 3.011989 -3.114475 -0.728198
H 6.595637 -1.300818 -0.864835
H 7.045538 -0.086802 0.365834
H 6.403330 -1.679849 0.857974
H -0.044283 3.090650 -0.942052
H 0.085677 3.197242 0.839940
H 1.524068 3.415079 -0.189003
H -1.647381 1.919532 -0.077073
H -1.223113 -1.783950 0.096967
H -5.244035 -2.534331 0.038375


