%chk=000245938.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245938

0 1
O -0.964567 0.729854 2.802603
O -0.795343 2.484200 -2.054398
N -0.000084 1.199777 1.907419
N 0.321127 2.284949 -1.660786
C -1.875512 1.480013 0.318443
C 2.039106 1.690846 -0.071382
C -0.396801 1.463478 0.590853
C 0.559672 1.790025 -0.352636
C -2.338829 0.151186 -0.221307
C 2.488605 0.293746 0.268302
C -2.472787 -0.040143 -1.604066
C -2.645516 -0.900243 0.656223
C 3.320688 0.072738 1.376286
C 2.092500 -0.792544 -0.527759
C -2.912504 -1.270312 -2.099753
C -3.085940 -2.128028 0.156677
C 3.747853 -1.222481 1.684538
C 2.520374 -2.084052 -0.214324
C -3.220588 -2.315400 -1.222633
C 3.346887 -2.302826 0.893638
H -2.116499 2.298410 -0.411644
H -2.446191 1.756382 1.236461
H 2.312424 2.415748 0.725026
H 2.618065 2.033784 -0.965676
H -2.229086 0.773826 -2.293175
H -2.548177 -0.757572 1.736829
H 3.651004 0.908441 1.990390
H 1.453395 -0.620714 -1.394664
H 0.899424 0.759093 2.115233
H -3.015639 -1.413431 -3.175339
H -3.327159 -2.939001 0.842336
H 4.398211 -1.387732 2.542387
H 2.212369 -2.923090 -0.837018
H -3.565435 -3.271303 -1.612391
H 3.680805 -3.309880 1.134404
H -1.334250 -0.169741 2.466801


%chk=000245938-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245938

0 1
O -1.036269 0.074321 2.530248
O -0.629888 2.378732 -2.209181
N -0.063688 0.517554 1.565250
N 0.516695 2.444655 -1.572296
C -1.883740 1.439273 0.211464
C 2.091427 1.821460 0.184964
C -0.393362 1.253118 0.462138
C 0.652385 1.808191 -0.320143
C -2.583718 0.131067 -0.165337
C 2.744116 0.443589 0.331944
C -2.270976 -0.515718 -1.391027
C -3.552842 -0.453203 0.693724
C 3.417271 0.083319 1.528653
C 2.699225 -0.495421 -0.732059
C -2.909518 -1.724752 -1.740587
C -4.192968 -1.665768 0.339510
C 4.034160 -1.183739 1.661212
C 3.314896 -1.758825 -0.602872
C -3.866606 -2.308338 -0.875158
C 3.983431 -2.109458 0.595191
H -1.995260 2.166243 -0.607181
H -2.328287 1.845730 1.140241
H 2.159396 2.360146 1.152227
H 2.653380 2.421168 -0.557281
H -1.551315 -0.043494 -2.069437
H -3.847013 0.067797 1.615026
H 3.478690 0.806752 2.352866
H 2.181535 -0.225925 -1.660312
H 0.893590 0.255841 1.825776
H -2.668348 -2.209937 -2.693158
H -4.946243 -2.099159 1.006952
H 4.553039 -1.443255 2.590855
H 3.276633 -2.470791 -1.435147
H -4.359565 -3.246732 -1.151843
H 4.459963 -3.091022 0.693804
H -1.658626 -0.535416 2.026874


